Exact Mass: 445.1813

Exact Mass Matches: 445.1813

Found 131 metabolites which its exact mass value is equals to given mass value 445.1813, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Narceine

6-(2-{6-[2-(dimethylamino)ethyl]-4-methoxy-2H-1,3-benzodioxol-5-yl}acetyl)-2,3-dimethoxybenzoic acid

C23H27NO8 (445.1737)


Narceine is found in opium poppy. Narceine is an alkaloid from Papaver somniferum (opium poppy C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist Narceine is a stilbenoid.

   

Dubiusine

Dubiusine

C23H27NO8 (445.1737)


   

Fumiquinazoline A

Fumiquinazoline A

C24H23N5O4 (445.175)


A fumiquinazoline that consists of imidazoindole and pyrazinoquinazoline units connected by a methylene group.

   

tridihexethyl iodide

tridihexethyl iodide

C21H36INO (445.1842)


C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent

   

cerdulatinib

cerdulatinib

C20H27N7O3S (445.1896)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

Tak-593

Tak-593

C23H23N7O3 (445.1862)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

glipizide

Glipizide (Glucotrol)

C21H27N5O4S (445.1784)


A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4274; ORIGINAL_PRECURSOR_SCAN_NO 4271 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4287; ORIGINAL_PRECURSOR_SCAN_NO 4286 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4253; ORIGINAL_PRECURSOR_SCAN_NO 4250 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4272; ORIGINAL_PRECURSOR_SCAN_NO 4269 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4267; ORIGINAL_PRECURSOR_SCAN_NO 4265 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4263; ORIGINAL_PRECURSOR_SCAN_NO 4262 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8486; ORIGINAL_PRECURSOR_SCAN_NO 8483 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8521; ORIGINAL_PRECURSOR_SCAN_NO 8519 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8531; ORIGINAL_PRECURSOR_SCAN_NO 8530 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8569; ORIGINAL_PRECURSOR_SCAN_NO 8565 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8574; ORIGINAL_PRECURSOR_SCAN_NO 8570 CONFIDENCE standard compound; INTERNAL_ID 467; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8577; ORIGINAL_PRECURSOR_SCAN_NO 8573

   

Glipizide

N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-5-methylpyrazine-2-carboxamide

C21H27N5O4S (445.1784)


Glipizide is only found in individuals that have used or taken this drug. It is an oral hypoglycemic agent which is rapidly absorbed and completely metabolized. [PubChem]Sulfonylureas likely bind to ATP-sensitive potassium-channel receptors on the pancreatic cell surface, reducing potassium conductance and causing depolarization of the membrane. Depolarization stimulates calcium ion influx through voltage-sensitive calcium channels, raising intracellular concentrations of calcium ions, which induces the secretion, or exocytosis, of insulin. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents

   

O-Demethyl apixaban

1-(4-Hydroxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboximidate

C24H23N5O4 (445.175)


   

N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide

N-[(4-Fluorophenyl)methyl]-3-oxo-1,1-diphenyl-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboximidate

C26H24FN3O3 (445.1802)


   

Fumiquinazoline B

Fumiquinazoline B

C24H23N5O4 (445.175)


   

11-O-methylpseurotin A

11-O-methylpseurotin A

C23H27NO8 (445.1737)


   

Tyr Tyr Thr

Tyr Tyr Thr

C22H27N3O7 (445.1849)


   

Tyr Thr Tyr

Tyr Thr Tyr

C22H27N3O7 (445.1849)


   

Thr Tyr Tyr

Thr Tyr Tyr

C22H27N3O7 (445.1849)


   

C24H23N5O4_2H-Pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione, 1-methyl-4-[[(2S,9S,9aS)-2,3,9,9a-tetrahydro-9-hydroxy-2-methyl-3-oxo-1H-imidazo[1,2-a]indol-9-yl]methyl]-, (1S,4R)

NCGC00380614-01_C24H23N5O4_2H-Pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione, 1-methyl-4-[[(2S,9S,9aS)-2,3,9,9a-tetrahydro-9-hydroxy-2-methyl-3-oxo-1H-imidazo[1,2-a]indol-9-yl]methyl]-, (1S,4R)-

C24H23N5O4 (445.175)


   

C24H23N5O4_2H-Pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione, 1-methyl-4-[[(2S,9S,9aS)-2,3,9,9a-tetrahydro-9-hydroxy-2-methyl-3-oxo-1H-imidazo[1,2-a]indol-9-yl]methyl]-, (1S,4R)-, (Fumiquinazoline A)

NCGC00380614-01_C24H23N5O4_2H-Pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione, 1-methyl-4-[[(2S,9S,9aS)-2,3,9,9a-tetrahydro-9-hydroxy-2-methyl-3-oxo-1H-imidazo[1,2-a]indol-9-yl]methyl]-, (1S,4R)-, (Fumiquinazoline A)

C24H23N5O4 (445.175)


   

Asp Asn Pro Thr

(3S)-3-amino-3-{[(2S)-3-carbamoyl-1-[(2S)-2-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}propanoic acid

C17H27N5O9 (445.1809)


   

Asp Asn Thr Pro

(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanamido]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Asp Pro Asn Thr

(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]-3-hydroxybutanoic acid

C17H27N5O9 (445.1809)


   

Asp Pro Gln Ser

(3S)-3-amino-4-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C17H27N5O9 (445.1809)


   

Asp Pro Ser Gln

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-4-carbamoylbutanoic acid

C17H27N5O9 (445.1809)


   

Asp Pro Thr Asn

(3S)-3-amino-4-[(2S)-2-{[(1S,2R)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C17H27N5O9 (445.1809)


   

Asp Gln Pro Ser

(3S)-3-amino-3-{[(2S)-4-carbamoyl-1-[(2S)-2-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoyl}propanoic acid

C17H27N5O9 (445.1809)


   

Asp Gln Ser Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Asp Ser Pro Gln

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid

C17H27N5O9 (445.1809)


   

Asp Ser Gln Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Asp Thr Asn Pro

(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxybutanamido]-3-carbamoylpropanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Asp Thr Pro Asn

(3S)-3-amino-3-{[(2S,3R)-1-[(2S)-2-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}propanoic acid

C17H27N5O9 (445.1809)


   

Glu Asn Pro Ser

(4S)-4-amino-4-{[(2S)-3-carbamoyl-1-[(2S)-2-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}butanoic acid

C17H27N5O9 (445.1809)


   

Glu Asn Ser Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carbamoylpropanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Glu Pro Asn Ser

(4S)-4-amino-5-[(2S)-2-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C17H27N5O9 (445.1809)


   

Glu Pro Ser Asn

(4S)-4-amino-5-[(2S)-2-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C17H27N5O9 (445.1809)


   

Glu Ser Asn Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxypropanamido]-3-carbamoylpropanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Glu Ser Pro Asn

(4S)-4-amino-4-{[(2S)-1-[(2S)-2-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamoyl}butanoic acid

C17H27N5O9 (445.1809)


   

Asn Asp Pro Thr

(3S)-3-[(2S)-2-amino-3-carbamoylpropanamido]-4-[(2S)-2-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C17H27N5O9 (445.1809)


   

Asn Asp Thr Pro

(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Asn Glu Pro Ser

(4S)-4-[(2S)-2-amino-3-carbamoylpropanamido]-5-[(2S)-2-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C17H27N5O9 (445.1809)


   

Asn Glu Ser Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carboxybutanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Asn Pro Asp Thr

(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]-3-hydroxybutanoic acid

C17H27N5O9 (445.1809)


   

Asn Pro Glu Ser

(4S)-4-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

C17H27N5O9 (445.1809)


   

Asn Pro Ser Glu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]pentanedioic acid

C17H27N5O9 (445.1809)


   

Asn Pro Thr Asp

(2S)-2-[(2S,3R)-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamido]butanedioic acid

C17H27N5O9 (445.1809)


   

Asn Ser Glu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxypropanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Asn Ser Pro Glu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C17H27N5O9 (445.1809)


   

Asn Thr Asp Pro

(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxybutanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Asn Thr Pro Asp

(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C17H27N5O9 (445.1809)


   

Pro Asp Asn Thr

(2S,3R)-2-[(2S)-3-carbamoyl-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-3-hydroxybutanoic acid

C17H27N5O9 (445.1809)


   

Pro Asp Gln Ser

(3S)-3-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propyl]carbamoyl}-3-[(2S)-pyrrolidin-2-ylformamido]propanoic acid

C17H27N5O9 (445.1809)


   

Pro Asp Ser Gln

(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-hydroxypropanamido]butanoic acid

C17H27N5O9 (445.1809)


   

Pro Asp Thr Asn

(3S)-3-{[(1S,2R)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-[(2S)-pyrrolidin-2-ylformamido]propanoic acid

C17H27N5O9 (445.1809)


   

Pro Glu Asn Ser

(4S)-4-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid

C17H27N5O9 (445.1809)


   

Pro Glu Ser Asn

(4S)-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid

C17H27N5O9 (445.1809)


   

Pro Asn Asp Thr

(2S,3R)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

C17H27N5O9 (445.1809)


   

Pro Asn Glu Ser

(4S)-4-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

C17H27N5O9 (445.1809)


   

Pro Asn Ser Glu

(2S)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-hydroxypropanamido]pentanedioic acid

C17H27N5O9 (445.1809)


   

Pro Asn Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-hydroxybutanamido]butanedioic acid

C17H27N5O9 (445.1809)


   

Pro Gln Asp Ser

(3S)-3-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C17H27N5O9 (445.1809)


   

Pro Gln Ser Asp

(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-hydroxypropanamido]butanedioic acid

C17H27N5O9 (445.1809)


   

Pro Ser Asp Gln

(2S)-4-carbamoyl-2-[(2S)-3-carboxy-2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]butanoic acid

C17H27N5O9 (445.1809)


   

Pro Ser Glu Asn

(4S)-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-4-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanoic acid

C17H27N5O9 (445.1809)


   

Pro Ser Asn Glu

(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]pentanedioic acid

C17H27N5O9 (445.1809)


   

Pro Ser Gln Asp

(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanamido]butanedioic acid

C17H27N5O9 (445.1809)


   

Pro Thr Asp Asn

(3S)-3-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-3-[(2S,3R)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanoic acid

C17H27N5O9 (445.1809)


   

Pro Thr Asn Asp

(2S)-2-[(2S)-3-carbamoyl-2-[(2S,3R)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanamido]butanedioic acid

C17H27N5O9 (445.1809)


   

Gln Asp Pro Ser

(3S)-3-[(2S)-2-amino-4-carbamoylbutanamido]-4-[(2S)-2-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C17H27N5O9 (445.1809)


   

Gln Asp Ser Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carboxypropanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Gln Pro Asp Ser

(3S)-3-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C17H27N5O9 (445.1809)


   

Gln Pro Ser Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]butanedioic acid

C17H27N5O9 (445.1809)


   

Gln Ser Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxypropanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Gln Ser Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C17H27N5O9 (445.1809)


   

Ser Asp Pro Gln

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid

C17H27N5O9 (445.1809)


   

Ser Asp Gln Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-4-carbamoylbutanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Ser Glu Asn Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carboxybutanamido]-3-carbamoylpropanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Ser Glu Pro Asn

(4S)-4-[(2S)-2-amino-3-hydroxypropanamido]-5-[(2S)-2-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C17H27N5O9 (445.1809)


   

Ser Asn Glu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Ser Asn Pro Glu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C17H27N5O9 (445.1809)


   

Ser Pro Asp Gln

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]-4-carbamoylbutanoic acid

C17H27N5O9 (445.1809)


   

Ser Pro Glu Asn

(4S)-4-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid

C17H27N5O9 (445.1809)


   

Ser Pro Asn Glu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]pentanedioic acid

C17H27N5O9 (445.1809)


   

Ser Pro Gln Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]butanedioic acid

C17H27N5O9 (445.1809)


   

Ser Gln Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Ser Gln Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C17H27N5O9 (445.1809)


   

Thr Asp Asn Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carboxypropanamido]-3-carbamoylpropanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Thr Asp Pro Asn

(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-[(2S)-2-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C17H27N5O9 (445.1809)


   

Thr Asn Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C17H27N5O9 (445.1809)


   

Thr Asn Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C17H27N5O9 (445.1809)


   

Thr Pro Asp Asn

(3S)-3-{[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}propanoic acid

C17H27N5O9 (445.1809)


   

Thr Pro Asn Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]butanedioic acid

C17H27N5O9 (445.1809)


   

PC(6:2/6:2)

3,5,9-Trioxa-4-phosphapentadeca-11,13-dien-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-2,4-hexadienyl)oxy]-, inner salt, 4-oxide, (R)-

C20H32NO8P (445.1865)


   

TyrMe-Lys-OH

(S)-7-amino-2-(3-(4-methoxyphenethoxy)-4-nitrobenzamido)heptanoic acid

C22H27N3O7 (445.1849)


   

Tauro-18-carboxy-19,20-dinor-LTB

5S,12R-dihydroxy-18-oxo-18-(2-sulfoethylamino)octadeca-6Z,8E,10E,14Z-tetraenoic acid

C20H31NO8S (445.177)


   

PC 12:4

1,2-di-(2E,4E-hexadienoyl)-sn-glycero-3-phosphocholine

C20H32NO8P (445.1865)


   

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-6-methylpyrazine-2-carboxamide

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-6-methylpyrazine-2-carboxamide

C21H27N5O4S (445.1784)


   

domperidone

domperidone

C22H28ClN5O3 (445.1881)


   

O-Demethyl apixaban

O-Desmethyl apixaban

C24H23N5O4 (445.175)


   

3-(5-[(FLUOREN-9-YLMETHOXY)CARBONYLAMINO]PENTYLOXY)BENZOIC ACID

3-(5-[(FLUOREN-9-YLMETHOXY)CARBONYLAMINO]PENTYLOXY)BENZOIC ACID

C27H27NO5 (445.1889)


   

N-GLCNAC-BIOTIN

N-GLCNAC-BIOTIN

C19H31N3O7S (445.1883)


   

Mono-POC Isopropyl Tenofovir

Mono-POC Isopropyl Tenofovir

C17H28N5O7P (445.1726)


   

Fmoc-N-Me-Thr(Bzl)-OH

Fmoc-N-Me-Thr(Bzl)-OH

C27H27NO5 (445.1889)


   

Fmoc-D-phenylglycine(4-OtBu)

Fmoc-D-phenylglycine(4-OtBu)

C27H27NO5 (445.1889)


   

Benexate Hydrochloride

Benexate Hydrochloride

C23H28ClN3O4 (445.1768)


   

Posenacaftor

Posenacaftor

C27H27NO5 (445.1889)


C87006 - Pharmacological Chaperone

   

N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide

N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide

C26H24FN3O3 (445.1802)


D000890 - Anti-Infective Agents > D023303 - Oxazolidinones SHA 68 is a potent and selective non-peptide neuropeptide S receptor (NPSR) antagonist with IC50s of 22.0 and 23.8 nM for NPSR Asn107 and NPSR Ile107, respectively. SHA 68 has limited the blood-brain barrier (BBB) penetration and the activity in neuralgia[1][2].

   

Narcein

6-[2-[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]-1-oxoethyl]-2,3-dimethoxybenzoic acid

C23H27NO8 (445.1737)


C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist

   

N-coumaroyl tyramine-4-O-beta-D-glucoside

N-coumaroyl tyramine-4-O-beta-D-glucoside

C23H27NO8 (445.1737)


   

N-coumaroyl tyramine 4-O-beta-D-glucoside

N-coumaroyl tyramine 4-O-beta-D-glucoside

C23H27NO8 (445.1737)


   

estrone 3-O-(beta-D-glucuronate)

estrone 3-O-(beta-D-glucuronate)

C24H29O8- (445.1862)


   

6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine

6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine

C23H23N7O3 (445.1862)


   

2-(3-Chlorophenyl)-9-[4-(2-pyrazinyl)-1-piperazinyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

2-(3-Chlorophenyl)-9-[4-(2-pyrazinyl)-1-piperazinyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

C24H24ClN7 (445.1782)


   

(2R,3R,3aS,9bS)-1-[(2,5-difluorophenyl)methyl]-3-(hydroxymethyl)-2-(morpholine-4-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one

(2R,3R,3aS,9bS)-1-[(2,5-difluorophenyl)methyl]-3-(hydroxymethyl)-2-(morpholine-4-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one

C23H25F2N3O4 (445.1813)


   

(2S,3S,3aR,9bR)-1-[(2,5-difluorophenyl)methyl]-3-(hydroxymethyl)-2-[4-morpholinyl(oxo)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one

(2S,3S,3aR,9bR)-1-[(2,5-difluorophenyl)methyl]-3-(hydroxymethyl)-2-[4-morpholinyl(oxo)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one

C23H25F2N3O4 (445.1813)


   

Tyr-Tyr-Thr

Tyr-Tyr-Thr

C22H27N3O7 (445.1849)


   

Tyr-Thr-Tyr

Tyr-Thr-Tyr

C22H27N3O7 (445.1849)


   

Thr-Tyr-Tyr

Thr-Tyr-Tyr

C22H27N3O7 (445.1849)


   

estrone 3-O-(beta-D-glucuronide)(1-)

estrone 3-O-(beta-D-glucuronide)(1-)

C24H29O8 (445.1862)


A steroid glucuronide anion that is the conjugate base of estrone 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.

   

ST 21:6;O6;Gly

ST 21:6;O6;Gly

C23H27NO8 (445.1737)


   

ST 18:2;O5;Tau

ST 18:2;O5;Tau

C20H31NO8S (445.177)


   

Samelisant

Samelisant

C21H33Cl2N3O3 (445.1899)


Samelisant (SUVN-G3031) is a potent and selective histamine H3 receptor (H3R) inverse agonist with good brain penetration and oral bioavailability. Samelisant has a similar binding affinity towards human (hH3R; Ki=8.7 nM) and rat (rH3R;Ki=9.8 nM) H3R indicating no inter-species differences. Samelisant can be used for the research of sleep-related disorders[1].

   

2,4-dihydroxy-17-methyl-7-[6-methyl-5-(methylamino)oxan-2-yl]-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3(8),4,6-triene-9,13-dione

2,4-dihydroxy-17-methyl-7-[6-methyl-5-(methylamino)oxan-2-yl]-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3(8),4,6-triene-9,13-dione

C23H27NO8 (445.1737)


   

(2s,9s,9as)-9-hydroxy-9-{[(1r,4r)-3-hydroxy-1-methyl-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one

(2s,9s,9as)-9-hydroxy-9-{[(1r,4r)-3-hydroxy-1-methyl-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one

C24H23N5O4 (445.175)


   

(2s,9s)-9-hydroxy-9-{[(1r,4r)-3-hydroxy-1-methyl-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one

(2s,9s)-9-hydroxy-9-{[(1r,4r)-3-hydroxy-1-methyl-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one

C24H23N5O4 (445.175)


   

(5r,8s,9r)-8-benzoyl-6,9-dihydroxy-2-[(1s,2s)-1-hydroxy-2-methoxyhex-3-en-1-yl]-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one

(5r,8s,9r)-8-benzoyl-6,9-dihydroxy-2-[(1s,2s)-1-hydroxy-2-methoxyhex-3-en-1-yl]-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one

C23H27NO8 (445.1737)


   

(5r,8s,9r)-8-benzoyl-6,9-dihydroxy-2-[(1s,2s,3z)-1-hydroxy-2-methoxyhex-3-en-1-yl]-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one

(5r,8s,9r)-8-benzoyl-6,9-dihydroxy-2-[(1s,2s,3z)-1-hydroxy-2-methoxyhex-3-en-1-yl]-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one

C23H27NO8 (445.1737)


   

8-benzoyl-6,9-dihydroxy-2-(1-hydroxy-2-methoxyhex-3-en-1-yl)-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one

8-benzoyl-6,9-dihydroxy-2-(1-hydroxy-2-methoxyhex-3-en-1-yl)-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one

C23H27NO8 (445.1737)


   

9-[5-(dimethylamino)-6-methyloxan-2-yl]-1,8-dihydroxy-3-methyltetraphene-7,12-dione

9-[5-(dimethylamino)-6-methyloxan-2-yl]-1,8-dihydroxy-3-methyltetraphene-7,12-dione

C27H27NO5 (445.1889)


   

(17s)-11-(acetyloxy)-5-methoxy-16-methyl-8-oxo-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-4-yl 3-hydroxybutanoate

(17s)-11-(acetyloxy)-5-methoxy-16-methyl-8-oxo-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-4-yl 3-hydroxybutanoate

C23H27NO8 (445.1737)


   

(2s,11s,15r,17r)-2,4-dihydroxy-17-methyl-7-[(2r,5s,6r)-6-methyl-5-(methylamino)oxan-2-yl]-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3(8),4,6-triene-9,13-dione

(2s,11s,15r,17r)-2,4-dihydroxy-17-methyl-7-[(2r,5s,6r)-6-methyl-5-(methylamino)oxan-2-yl]-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3(8),4,6-triene-9,13-dione

C23H27NO8 (445.1737)


   

(2s,9s,9as)-9-hydroxy-9-{[(1s,4r)-3-hydroxy-1-methyl-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one

(2s,9s,9as)-9-hydroxy-9-{[(1s,4r)-3-hydroxy-1-methyl-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one

C24H23N5O4 (445.175)


   

9-[(2r,5s,6s)-5-(dimethylamino)-6-methyloxan-2-yl]-1,8-dihydroxy-3-methyltetraphene-7,12-dione

9-[(2r,5s,6s)-5-(dimethylamino)-6-methyloxan-2-yl]-1,8-dihydroxy-3-methyltetraphene-7,12-dione

C27H27NO5 (445.1889)


   

(1s,10s,11s)-11-(acetyloxy)-5-methoxy-16-methyl-8-oxo-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-4-yl 3-hydroxybutanoate

(1s,10s,11s)-11-(acetyloxy)-5-methoxy-16-methyl-8-oxo-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-4-yl 3-hydroxybutanoate

C23H27NO8 (445.1737)