Exact Mass: 333.1436974

A pyrrolizine alkaloid that is 13,19-didehydrosenecionane carrying a hydroxy substituent at position 12 and two oxo substituents at positions 11 and 16. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2297 [Raw Data] CB082b_Seneciphylline_pos_40eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_30eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_20eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_10eV_CB000034.txt [Raw Data] CB082b_Seneciphylline_pos_50eV_CB000034.txt Seneciphylline is a toxic pyrrolizidine alkaloid in Gynura japonica[1]. Seneciphylline significantly increases the activities of epoxide hydrase and glutathione-S-transferase but causes reduction of cytochrome P-450 and related monooxygenase activities[2].

Tebufenpyrad

1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-

CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10181; ORIGINAL_PRECURSOR_SCAN_NO 10180 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10149; ORIGINAL_PRECURSOR_SCAN_NO 10147 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10181; ORIGINAL_PRECURSOR_SCAN_NO 10178 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10099; ORIGINAL_PRECURSOR_SCAN_NO 10097 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10204; ORIGINAL_PRECURSOR_SCAN_NO 10202 CONFIDENCE standard compound; INTERNAL_ID 1210; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10140; ORIGINAL_PRECURSOR_SCAN_NO 10138

N-Acetyl-DL-phenylalanine beta-naphthyl ester

naphthalen-2-yl 2-acetamido-3-phenylpropanoate

Primidolol

C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist Same as: D02389

Narcissidine

2-(4-methoxyphenyl)-1-phenyl-1-(2-pyridinyl)-2-butanol

(alphaS,betaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol

Ipconazole

Pesticide6_Ipconazole Isomer 1*_C18H24ClN3O_2-(4-Chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol

CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10110; ORIGINAL_PRECURSOR_SCAN_NO 10108 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10152; ORIGINAL_PRECURSOR_SCAN_NO 10150 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10122; ORIGINAL_PRECURSOR_SCAN_NO 10120 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10149; ORIGINAL_PRECURSOR_SCAN_NO 10147 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10154; ORIGINAL_PRECURSOR_SCAN_NO 10152 CONFIDENCE standard compound; INTERNAL_ID 911; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10099; ORIGINAL_PRECURSOR_SCAN_NO 10097

Furametpyr

C12H21N4O5S+ (333.12325960000004)

[(1S)-2-[2-[(2R)-2-amino-2-carboxyethyl]sulfinyl-1H-imidazol-5-yl]-1-carboxyethyl]-trimethylazanium

(11S,14S)-Cyclo-(L-Trp-L-Phe)

A natural product found in Aspergillus sydowii.

Pefloxacin

1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Pefloxacin is only found in individuals that have used or taken this drug. It is a synthetic broad-spectrum fluoroquinolone antibacterial agent active against most gram-negative and gram-positive bacteria. [PubChem]The bactericidal action of pefloxacin results from interference with the activity of the bacterial enzymes DNA gyrase and topoisomerase IV, which are needed for the transcription and replication of bacterial DNA. DNA gyrase appears to be the primary quinolone target for gram-negative bacteria. Topoisomerase IV appears to be the preferential target in gram-positive organisms. Interference with these two topoisomerases results in strand breakage of the bacterial chromosome, supercoiling, and resealing. As a result DNA replication and transcription is inhibited. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic

gamma-Glutamyltryptophan

(2S)-2-amino-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

gamma-Glutamyltryptophan is a dipeptide composed of gamma-glutamate and tryptophan, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamyltryptophan is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

Glutamyltryptophan

(4S)-4-amino-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

Glutamyltryptophan is a dipeptide composed of glutamate and tryptophan, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamyltryptophan is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Glutamyltryptophan can be found in feces (PMID: 27015276). The synthetic version of this dipeptide is named Oglufanide. It was originally developed to treat severe infectious disease in Russia (where it is a registered pharmaceutical), and was extensively studied in cancer clinical trials in the United States before being acquired by Implicit Bioscience in 2005. Oglufanide works as a regulator of the bodys immune response and is being given by intranasal administration to patients with chronic hepatitis C viral infection (DB05779). C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C308 - Immunotherapeutic Agent Oglufanide (H-Glu-Trp-OH) is a dipeptide immunomodulator isolated from calf thymus. Oglufanide inhibits vascular endothelial growth factor (VEGF). Oglufanide can stimulate the immune response to hepatitic C virus (HCV) and intracellular bacterial infections. Oglufanide shows antitumor and anti-angiogenesis activities[1][2][3]. Oglufanide (H-Glu-Trp-OH) is a dipeptide immunomodulator isolated from calf thymus. Oglufanide inhibits vascular endothelial growth factor (VEGF). Oglufanide can stimulate the immune response to hepatitic C virus (HCV) and intracellular bacterial infections. Oglufanide shows antitumor and anti-angiogenesis activities[1][2][3].

Tryptophyl-Glutamate

2-{[2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}pentanedioate

Tryptophyl-Glutamate is a dipeptide composed of tryptophan and glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

10-Acetoxydecarbamoylmitomycin C

{11-amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0^{2,7}.0^{4,6}]trideca-1(9),11-dien-8-yl}methyl acetate

CH-223191

1-Methyl-N-{2-methyl-4-[2-(2-methylphenyl)diazen-1-yl]phenyl}-1H-pyrazole-5-carboximidate

Ciglitazone

5-({4-[(1-methylcyclohexyl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione

C18H23NO3S (333.1398568)

C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent D007004 - Hypoglycemic Agents

Golotimod

2-amino-4-{[1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

Oxonorfloxacin

1-Ethyl-6-fluoro-7-(5-hydroxy-1,2,3,6-tetrahydropyrazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

Pentopril

1-(5-ethoxy-2,4-dimethyl-5-oxopentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid

Seneciphylline

4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione

1ST14177

(1,6)Dioxacyclododecino(2,3,4-gh)pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-methyl-5-methylene-, (3Z,6R,14aR,14bR)-

Seneciphylline is a white powder. (NTP, 1992) LSM-2853 is a citraconoyl group. Seneciphylline is a natural product found in Senecio bollei, Tussilago farfara, and other organisms with data available. Seneciphylline is a toxic pyrrolizidine alkaloid in Gynura japonica[1]. Seneciphylline significantly increases the activities of epoxide hydrase and glutathione-S-transferase but causes reduction of cytochrome P-450 and related monooxygenase activities[2].

Sinococuline

(1S,9S,12S,13S)-4,11-DIMETHOXY-17-AZATETRACYCLO(7.5.3.0^(1,10).0^(2,7))HEPTADECA-2(7),3,5,10-TETRAENE-3,12,13-TRIOL

Sinococuline is a natural product found in Cocculus trilobus, Stephania excentrica, and Stephania cephalantha with data available.

6-Hydroxy-3-ketoveprisine

Makaluvamine G

Oryzamutaic acid B

Oryzamutaic acid C

Hydroxylunidonine

C16H19N3O3S (333.11470640000005)

Tropatepine

C22H23NS (333.15511180000004)

N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent

Maybridge3_002382

ZINC146079

C15H19N5O2S (333.1259394)

MMV688852

C16H17ClFN5 (333.1156444)

5-Epimer-Lithospermoside

SCHEMBL12427457

Euxylophoricine F

C18H23NO5

4,8-dimethyl-6-O-(2,4-di-O-methyl-beta-D-xylopyranosyl)-hydroxyquinoline|4,8-dimethyl-6-O-(2?,4?-di-O-methyl-beta-D-xylopyranosyl)hydroxyquinoline

anhydromarmeline

C14H23NO6S (333.12460180000005)

9-hydroxy-2-nonenoic lactone mercapturic acid

3,14-Dihydroangustoline

Cyclo(-Phe-Trp)

3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione

UPENN_ABS_001

11-hydroxyerysotine

Ptelefolin

blastmycetin C

1-(4-hydroxy-3-methoxypheny)-2-<(4-hydroxy-3-methoxyphenetyl)amino>ethanol|1-(4-hydroxy-3-methoxypheny)-2-[(4-hydroxy-3-methoxyphenetyl)amino]ethanol

3-(2-hydroxy-3-methyl-but-3-enyl)-4,7,8-trimethoxy-1-methyl-1H-quinolin-2-one|Isoptelefolin

8-demethoxyhostasine

C19H15N3O3

cassiarin J|methyl 3-hydroxy-2-methoxy-3-cassiarin A-acetate

herdmanine I

11-hydroxygalanthine

Tilivalline

A pyrrolobenzodiazepine that is (11aS)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine substituted by an oxo group at position 5, by a hydroxy group at position 9, and by a 1H-indol-3-yl group at position 11S. It is a natural product discovered in Klebsiella oxytoca which is the causative toxin in antibiotic associated hemorrhagic colitis. It exhibits a microtubule-stabilizing activity that leads to mitotic arrest in the host cells.

Kikumycin B

C14H19N7O3 (333.1549304)

7-(3-hydroxy-3-methyl-2-oxo-butyl)-6-methoxy-9-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one|hydroxyisoorixinone|hydroxylunidonine|Hydroxyluzidonin

Convolicine

(8-Acetyl-8-azabicyclo[3.2.1]octan-3-yl) 3,4-dimethoxybenzoate

Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids

Tazettine, 1,2-dihydro

Seneciphylline

Senenciphylline

relative retention time with respect to 9-anthracene Carboxylic Acid is 0.402 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.399 Seneciphylline is a toxic pyrrolizidine alkaloid in Gynura japonica[1]. Seneciphylline significantly increases the activities of epoxide hydrase and glutathione-S-transferase but causes reduction of cytochrome P-450 and related monooxygenase activities[2].

9-Hydroxybenfluron

6alpha-hydroxycrinamidine

Incartine

(7aS)-7c-(6-hydroxymethyl-benzo[1,3]dioxol-5-yl)-6c-methoxy-1-methyl-(7ar)-2,3,5,6,7,7a-hexahydro-indol-5t-ol|9,10-methanediyldioxy-1,6-dimethyl-6,7-seco-lycoran-4(12)-ene-5alpha,7-diol|Galanthusin|galanthusine|O6-methyl-tetrahydro-hippeastrine

(7aS)-7c-(6-hydroxymethyl-benzo[1,3]dioxol-5-yl)-6c-methoxy-1-methyl-(7ar)-2,3,5,6,7,7a-hexahydro-indol-5t-ol|9,10-methanediyldioxy-1,6-dimethyl-6,7-seco-lycoran-4(12)-ene-5alpha,7-diol|Galanthusin|galanthusine|O6-methyl-tetrahydro-hippeastrine

Ala Ile Met

Ser Asn Asn

Ile Met Ala

Glu Asp Ala

Thr Val Asp

Leu Met Gly

Pro Met Ser

Ser Val Glu

Glu Val Ser

Val Ser Glu

Met Gly Leu

SCHEMBL173099

Gly Met Leu

Asp Ile Ser

Asp Ser Ile

Phe Pro Ala

Glu Gly Glu

Val Asp Thr

ciglitazone

5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2,4-thiazolidinedione

C18H23NO3S (333.1398568)

C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent D007004 - Hypoglycemic Agents

Met Pro Ser

Ser Ile Asp

Ser Pro Met

Asp Val Thr

Asp Glu Ala

Thr Asp Val

Val Glu Ser

Ala Glu Asp

Ala Met Ile

Asp Thr Val

Leu Gly Met

Glu Ser Val

Ala Asp Glu

Ser Asp Ile

Glu Ala Asp

Pro Phe Ala

Val Thr Asp

Gly Leu Met

ACMC-20lz7t

Pro Ala Phe

Ile Ser Asp

CONVOLICINE

NCGC00160255-01!CONVOLICINE

3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione

NCGC00347762-02!3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione

C16H19N3O5_11-Hydroxy-11-isopropyl-4-methoxy-8-methyl-10,11-dihydro-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione

NCGC00380446-01_C16H19N3O5_11-Hydroxy-11-isopropyl-4-methoxy-8-methyl-10,11-dihydro-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione

Pefloxacin

J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic

MMV688852

C16H17N5ClF (333.1156444)

Seneciphyllin

Annotation level-1

Tebufenpyrad

Pesticide4_Tebufenpyrad_C18H24ClN3O_1H-Pyrazole-5-carboxamide, 4-chloro-N-[[4-(1,1-dimethylethyl)phenyl]methyl]-3-ethyl-1-methyl-

5,6-dihydro-6-hydroxy-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-2(1H)-Pyridinone

5,6-dihydro-5-hydroxy-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-2(1H)-Pyridinone

Gly Gly Asn Ser

(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-carbamoylpropanamido]-3-hydroxypropanoic acid

Gly Gly Ser Asn

(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-hydroxypropanamido]-3-carbamoylpropanoic acid

Gly Asn Gly Ser

(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]acetamido}-3-hydroxypropanoic acid

Gly Asn Ser Gly

2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-3-hydroxypropanamido]acetic acid

Gly Ser Gly Asn

(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]acetamido}-3-carbamoylpropanoic acid

Gly Ser Asn Gly

2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-carbamoylpropanamido]acetic acid

Val Ile Cys

Met Pro Ser

Ser Pro Met

4-Oxo-norfloxacin

Met Ile Ala

Cys Val Leu

Met Ala Ile

Asp Leu Ser

Val Leu Cys

Ile Val Cys

Leu Asp Ser

Pro Met Ser

Ile Cys Val

Cys Ile Val

Leu Ser Asp

Leu Met Ala

Ala Phe Pro

Val Cys Leu

Leu Ala Met

Cys Val Ile

Asn Gly Gly Ser

(2S)-2-(2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}acetamido)-3-hydroxypropanoic acid

Asn Gly Ser Gly

2-[(2S)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-hydroxypropanamido]acetic acid

Cys Leu Val

Asn Ser Gly Gly

2-{2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxypropanamido]acetamido}acetic acid

Val Cys Ile

Asp Ser Leu

Ile Ala Met

Glu Glu Gly

Ala Leu Met

Asn Ser Asn

Ala Pro Phe

Ser Asp Leu

Phe Ala Pro

Pro Ser Met

Leu Val Cys

Asp Ala Glu

Ala Met Ile

Ser Glu Val

Ile Asp Ser

Met Ala Leu

Asn Asn Ser

Gly Glu Glu

Ser Met Pro

Ala Ile Met

Ser Gly Gly Asn

(2S)-2-(2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}acetamido)-3-carbamoylpropanoic acid

Ser Gly Asn Gly

2-[(2S)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-carbamoylpropanamido]acetic acid

Met Ser Pro

Ser Asn Gly Gly

2-{2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanamido]acetamido}acetic acid

Met Leu Ala

Ser Leu Asp

Leu Cys Val

Ala Met Leu

Ile Met Ala

Trp Glu

Glu Trp

[[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]-, (E)-Acetic acid

Pefloxacine

Quinoline alkaloid

C14H23NO6S (333.12460180000005)

O-Methylisoetharine sulfate

11-Hydroxy-11-isopropyl-4-methoxy-8-methyl-10,11-dihydro-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione

Azido Tributyltin

C12H27N3Sn (333.1226852)

METHYL 2-[(2-PHENOXYPHENYLAMINO)-METHYL]BENZOATE

C20H19N3S (333.12996140000007)

4-Trityl-3-thiosemicarbazide

Pentopril

2-(4-HEXYLPHENYL)QUINOLINE-4-CARBOXYLICACID

(betaS)-beta-[[(tert-Butoxy)carbonyl]amino]-2,4,5-trifluorobenzenebutanoic acid

2-(3-indolylmethyl)-l-tryptophan

Boc-3-(trifluoromethyl)-D-phenylalanine

4-Cyanophenyl 4-trans-(4-ethylcyclohexyl)benzoate

6,7-Diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

C19H24ClNO2 (333.1495474)

Boc-(R)-3-Amino-4-(2,4,5-Trifluoro-Phenyl)-Butyric Acid

3-[(tert-butoxycarbonyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid

C19H21ClFNO (333.12956180000003)

[6-(2-methylbutan-2-yl)pyridin-2-yl]-diphenylphosphane

C22H24NP (333.16462740000003)

1-(4-Fluorophenyl)-1-(3-dimethylaminopropyl)-5-chlorophthalane

TERT-BUTYL 7-AMINO-4-OXO-3,4-DIHYDROSPIRO[BENZO[E][1,3]OXAZINE-2,4-PIPERIDINE]-1-CARBOXYLATE

Boc-D-4-Trifluoromethylphe

(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(2-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID

(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID

(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID

(R)-BOC-2-(TRIFLUOROMETHYL)-BETA-PHE-OH

BOC-(R)-3-AMINO-3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONICACID

Boc-(R)-3-Amino-3-(4-trifluoromethylphenyl)-propionic acid

2H-Pyrrol-2-one, 4-acetyl-1-(4-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-

2H-Pyrrol-2-one, 4-acetyl-1-(4-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-, (5R)-

m-PEG4-NHS ester

Ethyl {4-[(4-fluorobenzyl)amino]-2-nitrophenyl}carbamate

(2S,3S)-2-AMINO-3-METHOXYBUTANOICACID,98

tri-n-butylisocyanatotin

C13H27NOSn (333.1114522)

Methyl 1-(2,3-dihydroxypropyl)-4-oxo-3-[(phenylmethyl)oxy]-1,4-dihydro-2-pyridinecarboxylate

Phosphonic acid,[2-[(phenylamino)carbonyl]phenyl]-, diethyl ester (9CI)

C17H20NO4P (333.112989)

benzyl 3-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate

Sibutramine hydrochloride monohydrate

C17H29Cl2NO (333.1626084)

D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants C78272 - Agent Affecting Nervous System > C29728 - Anorexiant

3,4-BIS(BENZYLOXY)BENZAMIDE

2-((2-TRIFLUOROMETHYLPHENYLAMINO)METHYLENE)MALONIC ACID DIETHYL ESTER

Enpromate

C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent

Boc-D-phe(2-CF3)-OH

BOC-L-3-Trifluoromethylphe

Boc-HomoArg(NO2)-OH

C12H23N5O6 (333.1648258)

4-[Bis(4-methoxyphenyl)amino]benzaldehyde

Pentanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-4-methyl-, 1,1-dimethylethyl ester, (2R)-

3-Chloro-4-(1-piperidin-4-ylmethyl-piperidin-4-yloxy)benzonitrile

2-Chloro-4-(1-piperidin-4-ylmethyl-piperidin-4-yloxy)benzonitrile

2H-Pyrrol-2-one, 4-acetyl-1-(4-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-, (5S)-

CH-223191

3-Oxo-3-(1-Cbz-Piperidin-4-Yl)-Propionic Acid Ethyl Ester

(E)-N-Methyl-2-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]ethenesulfonamide

C17H23N3O2S (333.1510898)

TRP-Glu

A dipeptide formed from L-tryptophan and L-glutamic acid residues.

Methanone, [4-(3-chlorophenyl)-1-piperazinyl](3-ethyl-5-methyl-4-isoxazolyl)

2H-Pyrrol-2-one, 4-acetyl-1-(3-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-

1H-PYRROLO[2,3-B]PYRIDINE-5-CARBONITRILE, 4-CHLORO-1-[TRIS(1-METHYLETHYL)SILYL]-

C17H24ClN3Si (333.1427934)

Ethyl 3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate

C21H19NOS (333.11872840000007)

(2E)-2-(HYDROXYIMINO)-N-(3-METHOXYPHENYL)ACETAMIDE

(1-(tert-Butoxycarbonyl)-4-(ethoxycarbonyl)-1H-indol-2-yl)boronic acid

C16H20BNO6 (333.13836100000003)

Disperse Yellow 82

3,4-bis-benzyloxy-benzaldehyde oxime

C18H17F2NO3 (333.11764360000006)

TH-237A

N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide

C17H23N3O2S (333.1510898)

2-Methyl-2-propanyl 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-3, 6-dihydro-1(2H)-pyridinecarboxylate

2-[N-(2,4-dimethylphenyl)carbamoyl]-3-naphthyl acetate

C16H20BNO4S (333.1206030000001)

ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzothiazole-3-carboxylate

4-(4-Ethynylphenyl)-2,2:6,2-terpyridine

C23H15N3 (333.126591)

9,9-diphenyl-9H-fluoren-2-amine

C25H19N (333.15174140000005)

1-benzhydryl-3-(4-fluorophenoxy)azetidine

C22H20FNO (333.1528842)

4-(4-Methoxybenzylamino)-5-ethoxycarbonyl-2-Methylthiopyrimidine

C16H19N3O3S (333.11470640000005)

(S)-N-[{3-(4-(3-oxomorpholin-4-yl)phenyl)-2-oxo-1,3-oxazolidin-5-yl}methyl]acetamide

9,9-diphenyl-9,10-dihydroacridine

C25H19N (333.15174140000005)

Boc-D-2-Trifluoromethylphenylalanine

13,14-dihydro-14,14-dimethyl-benz[c]indeno[2,1-a]carbazole

C25H19N (333.15174140000005)

2-(4-Dibenzofuran)carbazole

C24H15NO (333.115358)

DIETHYL 1-BENZYL-3 4-DIHYDROXY-1H-PYRRO&

trans-4-Cyano[1,1-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate

3-nitro-2,6-di(piperidin-1-yl)benzoic acid

tert-butyl 3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate

coumarin 7

Boc-L-4-Trifluoromethylphe

Golotimod

C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C274 - Antineoplastic Agent Golotimod (SCV-07), an immunomodulating peptide with antimicrobial activity, significantly increases the efficacy of antituberculosis therapy, stimulates thymic and splenic cell proliferation, and improves macrophage function. Golotimod (SCV-07) inhibits STAT3 signaling and modulates the duration and severity of oral mucositis in animal models that received radiation or a combination of radiation and Cisplatin. Golotimod (SCV-07) is also a potential therapeutic for recurrent genital herpes simplex virus type 2 (HSV-2)[1][2][3].

Ethonam nitrate

C254 - Anti-Infective Agent > C514 - Antifungal Agent

L-Prolyl-L-phenylalanyl-L-alanine

(11-Amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl acetate

Inpyrfluxam

C18H21F2N3O (333.16526)

3,4-Bis(benzyloxy)phenethylamine hydrochloride

H-Ala-Pro-Phe-OH

Phe-Ala-Pro

A tripeptide composed of L-phenylalanine, L-alanine and L-proline joined in sequence by peptide linkages.

5-[[[(5-Tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester

Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl)-

C21H21N2O2+ (333.1602946)

D004396 - Coloring Agents > D002232 - Carbocyanines

1-Butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-pyridinone

C18H23NO3S (333.1398568)

3-O-ethylentacapone

Phenylalanyl-prolyl-alanine

(alphaS,betaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol

L-Valyl-L-seryl-L-glutamic acid

2-Propenyl-N-acetyl-neuramic acid

3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane

C22H23NS (333.15511180000004)

N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines

1-Tert-butyl-3-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C16H17ClFN5 (333.1156444)

Pseudaminate

N,N-diacetyllegionaminate

1,1-Bis-valienamine

5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-D-galacto-non-2-ulosonate

5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-D-talo-non-2-ulosonate

5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-D-talo-non-2-ulosonate

L-prolyl-L-phenyl-L-alanine

5,7-bis(acetamido)-3,5,7,9-tetradeoxy-L-glycero-beta-L-manno-2-nonulopyranosonic acid

Oxonorfloxacin

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones

(4Z)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

CID 157010180

C14H25N2O5S (333.14841)

CID 157010181

C14H25N2O5S (333.14841)

C3-oxacyanine cation

C21H21N2O2+ (333.1602946)

(15E)-12-hydroxy-13,19-didehydrosenecionan-11,16-dione

N-bicyclo[2.2.1]hept-2-yl-2-[(2,3-dimethoxyphenyl)methylene]-1-hydrazinecarbothioamide

C17H23N3O2S (333.1510898)

Leu-Asp-Ser

A tripeptide composed of L-leucine, L-aspartic acid and L-serine joined in sequence by peptide linkages.

7,8-Dimethoxy-1,5-dimethyl-3-phenylpyrazolo[3,4-c]isoquinoline

N-cyclopentyl-2-[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]acetamide

C15H19N5O2S (333.1259394)

5-(2-Furanyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole

C17H17F2N3S (333.11111860000005)

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine

(S)-furametpyr

Glu-Glu-Gly

A tripeptide composed of two L-glutamic acid and one glycine residues joined in sequence.

(R)-furametpyr

Alanyl-glutamyl-aspartic acid

2-cyclopentyl 5-methyl 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate

4-(1H-benzimidazol-2-ylmethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone

7-methoxy-N-(3-pyridinylmethyl)-2-furo[2,3-b]quinolinecarboxamide

3-(2-methoxyethyl)-2,4-dioxo-N-pentyl-1H-quinazoline-7-carboxamide

[2-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(1-pyrrolidinyl)methanone

1,3-Dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione

C17H20FN3OS (333.13110420000004)

2-[[5-(4-Fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(1-piperidinyl)ethanone

naphthalen-2-yl (2S)-2-acetamido-3-phenylpropanoate

3-hydroxy-7-(hydroxymethyl)-6-methyl-2-[(1E,3E)-nona-1,3-dien-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione

C14H25N2O7+ (333.16616799999997)

Spectinomycin(1+)

A secondary ammonium ion derived from spectinomycin by protonation of the secondary amino group located between the two alcoholic hydroxy groups.

Met-Ala-Leu

Asn-Asn-Ser

Asp-Ser-Ile

Cys-Leu-Val

Ala-Phe-Pro

Ile-Asp-Ser

Glu-Ser-Val

Gly-Glu-Glu

Ala-Asp-Glu

Ala-Leu-Met

Asp-Ala-Glu

Asp-Glu-Ala

Asp-Ser-Leu

Asp-Thr-Val

Glu-Asp-Ala

Met-Pro-Ser

Ser-Asp-Leu

Ser-Pro-Met

Val-Leu-Cys

1-[1-(1-Ethyl-3-methyl-4-pyrazolyl)ethyl]-3-(3-nitrophenyl)thiourea

C15H19N5O2S (333.1259394)

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-ethyl-1-piperazinyl)acetamide

N-[(1S)-2-hydroxy-1-phenylethyl]-N-(3-methylbut-2-enyl)-3-phenyl-2-propynamide

(7R)-7-[4-(6-oxo-1,6-dihydropyrimidin-4-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione

C15H19N5O4 (333.1436974)

3-Ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole

C21H21N2O2+ (333.1602946)

(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile

(2S,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile

(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile

(2S,3S,4R)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile

(6S,7S,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

(6S,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

4-[4-[(6S,7S,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile

4-[4-[(6S,7R,8S)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile

4-[4-[(6S,7R,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile

(2R,3R,4R)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile

4-Hydroxy-5-heptyl-6H-pyrido[3,2,1-jk]carbazole-6-one

(6S,7S,8R)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

4-[4-[(6S,7S,8S)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile

4-[4-[(6R,7S,8S)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile

4-[4-[(6R,7R,8S)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile

4-[4-[(6R,7R,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile

4-[4-[(6R,7S,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile

Asp-Leu-Ser

Asp-Val-Thr

Glu-Ala-Asp

Cys-Val-Leu

Ile-Ser-Asp

Met-Leu-Ala

Pro-Met-Ser

Pro-Ser-Met

Ser-Leu-Asp

Val-Glu-Ser

Ser-Asp-Ile

Ala-Ile-Met

Glu-Gly-Glu

Pro-Ala-Phe

Leu-Val-Cys

Glu-Val-Ser

Leu-Ala-Met

L-Leucyl-L-methionyl-L-alanine

Ala-Met-Ile

Ala-Met-Leu

Asn-Ser-Asn

Asp-Ile-Ser

Cys-Ile-Val

Cys-Val-Ile

Ile-Ala-Met

Ile-Cys-Val

Ile-Met-Ala

Ile-Val-Cys

Leu-Cys-Val

Leu-Ser-Asp

Met-Ala-Ile

Met-Ile-Ala

Met-Ser-Pro

Ser-Asn-Asn

Ser-Glu-Val

Ser-Ile-Asp

Ser-Met-Pro

Ser-Val-Glu

Thr-Asp-Val

Thr-Val-Asp

Val-Asp-Thr

Val-Cys-Ile

Val-Cys-Leu

Val-Ile-Cys

Val-Thr-Asp

mitomycin C(1-)

C15H17N4O5- (333.1198892)

2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one

7-[[(2S)-2-aminopropyl]amino]-1-cyclopropyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid

Senecionan-11,16-dione, 13,19-didehydro-12-hydroxy-

[(5R)-8-acetyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate

Dibutyl 2-(N-trifluoroacetylamino)ethylphosphonate

C12H23F3NO4P (333.1316724)

Butyl N-trifluoroacetyl 1-aminoethyl phosphonate

C12H23F3NO4P (333.1316724)

N-Acetylglycylmethionylglycine ethyl ester

N-Acetyl-glycyl-methionyl-glycine ethylester

2-Trimethylsilyloxy-4-quinolinecarboxylicacid trimethylsilyl ester

C16H23NO3Si2 (333.1216408)

5-Tert-butyl-2,3-dimethoxycarbonyl-5,6-dihydropyrrolo(1,2-D)(1,2,4)triazocin-6-one

Pirimiphos-ethyl

C13H24N3O3PS (333.1275924)

Oglufanide

H-Glu-Trp-OH