Exact Mass: 456.2042452
Exact Mass Matches: 456.2042452
Found 185 metabolites which its exact mass value is equals to given mass value 456.2042452,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Delavirdine
1-(3-((1-Methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulphonyl)amino)-1H-indol-2-yl)carbonyl)piperazine
C22H28N6O3S (456.19434980000005)
Delavirdine is only found in individuals that have used or taken this drug. It is a potent, non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. [PubChem]Delavirdine binds directly to viral reverse transcriptase (RT) and blocks the RNA-dependent and DNA-dependent DNA polymerase activities by disrupting the enzymes catalytic site. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AG - Non-nucleoside reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
Sudan black B
2,2-dimethyl-6-{2-[4-(2-phenyldiazen-1-yl)naphthalen-1-yl]diazen-1-yl}-2,3-dihydro-1H-perimidine
13-Me ether,3-O-beta-D-glucopyranoside-3,8,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide
13-Me ether,3-O-beta-D-glucopyranoside-3,8,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide
(8E)-decaene-4,6-diyn-1-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
(8E)-decaene-4,6-diyn-1-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
1-(2-hydroxy-3-O-beta-D-cymaropyranosyl-6-O-beta-D-oleandropyranosyl-phenyl)-ethanone
1-(2-hydroxy-3-O-beta-D-cymaropyranosyl-6-O-beta-D-oleandropyranosyl-phenyl)-ethanone
jatairidoids C|[(1R,3R,4aR,6S,7R,7aS)-6-(acetyloxy)hexahydro-1,4a-dihydroxy-4-methylidene-3,7-epoxycyclopenta[c]pyran-7(1H)-yl]methyl 3-methyl-2-[(3-methylbutanoyl)oxy]butanoate
jatairidoids C|[(1R,3R,4aR,6S,7R,7aS)-6-(acetyloxy)hexahydro-1,4a-dihydroxy-4-methylidene-3,7-epoxycyclopenta[c]pyran-7(1H)-yl]methyl 3-methyl-2-[(3-methylbutanoyl)oxy]butanoate
Ala Glu His Thr
(4S)-4-[(2S)-2-aminopropanamido]-4-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
Ala Glu Thr His
(4S)-4-[(2S)-2-aminopropanamido]-4-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
Ala Phe Gly Tyr
(2S)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid
Ala Phe Tyr Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid
Ala Gly Phe Tyr
(2S)-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid
Ala Gly Tyr Phe
(2S)-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid
Ala His Glu Thr
(4S)-4-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid
Ala His Thr Glu
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]pentanedioic acid
Ala Thr Glu His
(4S)-4-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
Ala Thr His Glu
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid
Ala Tyr Phe Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]acetic acid
Ala Tyr Gly Phe
(2S)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-phenylpropanoic acid
Asp His Ser Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-methylbutanoic acid
Asp His Val Ser
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid
Asp Ser His Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanoic acid
Asp Ser Val His
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid
Asp Val His Ser
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid
Asp Val Ser His
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid
Glu Ala His Thr
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Glu Ala Thr His
(4S)-4-amino-4-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Glu His Ala Thr
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
Glu His Thr Ala
(4S)-4-amino-4-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
Glu Thr Ala His
(4S)-4-amino-4-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
Glu Thr His Ala
(4S)-4-amino-4-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
Phe Ala Gly Tyr
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]propanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid
Phe Ala Tyr Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid
Phe Phe Gly Ser
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]acetamido}-3-hydroxypropanoic acid
Phe Phe Ser Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-3-hydroxypropanamido]acetic acid
Phe Gly Ala Tyr
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}propanamido]-3-(4-hydroxyphenyl)propanoic acid
Phe Gly Phe Ser
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-phenylpropanamido]-3-hydroxypropanoic acid
Phe Gly His Pro
(2S)-1-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-(1H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
Phe Gly Pro His
(2S)-2-{[(2S)-1-{2-[(2S)-2-amino-3-phenylpropanamido]acetyl}pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanoic acid
Phe Gly Ser Phe
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-hydroxypropanamido]-3-phenylpropanoic acid
Phe Gly Tyr Ala
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]propanoic acid
Phe His Gly Pro
(2S)-1-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]acetyl}pyrrolidine-2-carboxylic acid
Phe His Pro Gly
2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}acetic acid
Phe Pro Gly His
(2S)-2-(2-{[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}acetamido)-3-(1H-imidazol-4-yl)propanoic acid
Phe Pro His Gly
2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]acetic acid
Phe Ser Phe Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanamido]-3-phenylpropanamido]acetic acid
Phe Ser Gly Phe
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanamido]acetamido}-3-phenylpropanoic acid
Phe Tyr Ala Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]acetic acid
Phe Tyr Gly Ala
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}propanoic acid
Gly Ala Phe Tyr
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid
Gly Ala Tyr Phe
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid
Gly Phe Ala Tyr
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]propanamido]-3-(4-hydroxyphenyl)propanoic acid
Gly Phe Phe Ser
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-phenylpropanamido]-3-hydroxypropanoic acid
Gly Phe His Pro
(2S)-1-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
Gly Phe Pro His
(2S)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanoic acid
Gly Phe Ser Phe
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-hydroxypropanamido]-3-phenylpropanoic acid
Gly Phe Tyr Ala
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]propanoic acid
Gly His Phe Pro
(2S)-1-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
Gly His Pro Phe
(2S)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid
Gly Pro Phe His
(2S)-2-[(2S)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid
Gly Pro His Phe
(2S)-2-[(2S)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid
Gly Ser Phe Phe
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-phenylpropanamido]-3-phenylpropanoic acid
Gly Tyr Ala Phe
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]propanamido]-3-phenylpropanoic acid
Gly Tyr Phe Ala
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]propanoic acid
His Ala Glu Thr
(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]propanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid
His Ala Thr Glu
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]propanamido]-3-hydroxybutanamido]pentanedioic acid
His Asp Ser Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-3-methylbutanoic acid
His Asp Val Ser
(3S)-3-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid
His Glu Ala Thr
(4S)-4-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}butanoic acid
His Glu Thr Ala
(4S)-4-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S,2R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
His Phe Gly Pro
(2S)-1-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]acetyl}pyrrolidine-2-carboxylic acid
His Phe Pro Gly
2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}acetic acid
His Gly Phe Pro
(2S)-1-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
His Gly Pro Phe
(2S)-2-{[(2S)-1-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetyl}pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid
His Pro Phe Gly
2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]acetic acid
His Pro Gly Phe
(2S)-2-(2-{[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanoic acid
His Ser Asp Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-carboxypropanamido]-3-methylbutanoic acid
His Ser Val Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-methylbutanamido]butanedioic acid
His Thr Ala Glu
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]propanamido]pentanedioic acid
His Thr Glu Ala
(4S)-4-[(2S,3R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid
His Val Asp Ser
(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid
His Val Ser Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanamido]-3-hydroxypropanamido]butanedioic acid
Pro Phe Gly His
(2S)-3-(1H-imidazol-4-yl)-2-{2-[(2S)-3-phenyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]acetamido}propanoic acid
Pro Phe His Gly
2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-3-phenyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]acetic acid
Pro Gly Phe His
(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-3-phenyl-2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}propanamido]propanoic acid
Pro Gly His Phe
(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}propanamido]-3-phenylpropanoic acid
Pro His Phe Gly
2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-phenylpropanamido]acetic acid
Pro His Gly Phe
(2S)-2-{2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]acetamido}-3-phenylpropanoic acid
Ser Asp His Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanoic acid
Ser Asp Val His
(3S)-3-[(2S)-2-amino-3-hydroxypropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid
Ser Phe Phe Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanamido]-3-phenylpropanamido]acetic acid
Ser Phe Gly Phe
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanamido]acetamido}-3-phenylpropanoic acid
Ser Gly Phe Phe
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-phenylpropanamido]-3-phenylpropanoic acid
Ser His Asp Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-methylbutanoic acid
Ser His Val Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanamido]butanedioic acid
Ser Val Asp His
(3S)-3-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylbutanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid
Ser Val His Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid
Thr Ala Glu His
(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]propanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
Thr Ala His Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]propanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid
Thr Glu Ala His
(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Thr Glu His Ala
(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
Thr His Ala Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]propanamido]pentanedioic acid
Thr His Glu Ala
(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid
Val Asp His Ser
(3S)-3-[(2S)-2-amino-3-methylbutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid
Val Asp Ser His
(3S)-3-[(2S)-2-amino-3-methylbutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid
Val His Asp Ser
(3S)-3-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid
Val His Ser Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]butanedioic acid
Val Ser Asp His
(3S)-3-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-hydroxypropanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid
Val Ser His Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid
Tyr Ala Phe Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-3-phenylpropanamido]acetic acid
Tyr Ala Gly Phe
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanoic acid
Tyr Phe Ala Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]propanamido]acetic acid
Tyr Phe Gly Ala
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]acetamido}propanoic acid
Tyr Gly Ala Phe
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}propanamido]-3-phenylpropanoic acid
Tyr Gly Phe Ala
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-phenylpropanamido]propanoic acid
17-trifluoromethylphenyl trinor PGF2&alpha
9α,11α,15S-trihydroxy-17-trifluoromethylphenyl-18,19,20-trinor-prosta-5Z,13E-dien-1-oic acid
Levocabastine hydrochloride
Levocabastine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
1-methoxy-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-2-ol,dihydrochloride
1-methoxy-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-2-ol,dihydrochloride
C23H34Cl2N2O3 (456.19463540000004)
3-Quinolineacetic acid, 4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-α-(1,1-dimethylethoxy)-2-methyl-, methyl ester, (αS,4R)-
3-Quinolineacetic acid, 4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-α-(1,1-dimethylethoxy)-2-methyl-, methyl ester, (αS,4R)-
C28H28N2O4 (456.20489680000003)
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)butanediamide
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)butanediamide
1-[1-[[1-[(4-Methylphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinyl]-5-(trifluoromethyl)benzotriazole
1-[1-[[1-[(4-Methylphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinyl]-5-(trifluoromethyl)benzotriazole
[(8S,9S,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9S,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9S,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9R,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9R,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
N-[(2R,4aR,12aR)-2-[2-(ethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide
N-[(2R,4aR,12aR)-2-[2-(ethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide
2-[(3S,6aS,8R,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
2-[(3S,6aS,8R,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
(3aR,4R,9bS)-8-(4-cyanophenyl)-N-(3-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(3aR,4R,9bS)-8-(4-cyanophenyl)-N-(3-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
C27H25FN4O2 (456.19614419999994)
[(8R,9R,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9R,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9R,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9R,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9S,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9S,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9R,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9R,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(2S,3R)-1-(4-oxanylmethyl)-3-phenyl-6-(phenylmethyl)sulfonyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol
[(2S,3R)-1-(4-oxanylmethyl)-3-phenyl-6-(phenylmethyl)sulfonyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] octanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] octanoate
C19H37O10P (456.21242320000005)
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] octanoate
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] octanoate
C19H37O10P (456.21242320000005)
[1-[(2-Hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] heptanoate
[1-[(2-Hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] heptanoate
C19H37O10P (456.21242320000005)
[1-[(2-Butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] nonanoate
[1-[(2-Butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] nonanoate
C19H37O10P (456.21242320000005)
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] decanoate
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] decanoate
C19H37O10P (456.21242320000005)
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] undecanoate
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] undecanoate
C19H37O10P (456.21242320000005)
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] heptanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] heptanoate
C19H37O10P (456.21242320000005)
[1-Butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate
[1-Butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate
C19H37O10P (456.21242320000005)
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] decanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] decanoate
C19H37O10P (456.21242320000005)
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] undecanoate
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] undecanoate
C19H37O10P (456.21242320000005)
Delavirdine
Delavirdine
C22H28N6O3S (456.19434980000005)
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AG - Non-nucleoside reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
phosphatidylglycerol 13:0
phosphatidylglycerol 13:0
C19H37O10P (456.21242320000005)
A phosphatidylglycerol in which the two acyl groups contain 13 carbon atoms and no double bonds
P2X3 antagonist 34
P2X3 antagonist 34
C24H26F2N4O3 (456.19728699999996)
P2X3 antagonist 34 is a potent, selective and orally active P2X3 homotrimeric receptor antagonist with IC50s of 25?nM, 92?nM and 126?nM for human P2X3, rat P2X3 and guinea pig P2X3 receptors, respectively. P2X3 antagonist 34 is less active against human, rat and guinea pig P2X2/3 heterotrimeric receptors. P2X3 antagonist 34 has strong anti-tussive effect[1].
(2r,3r,4s,5s,6r)-2-[(8e)-dec-8-en-4,6-diyn-1-yloxy]-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-[(8e)-dec-8-en-4,6-diyn-1-yloxy]-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(3,4,5-trihydroxy-6-{[2-(4-hydroxycyclohex-1-en-1-yl)acetyl]oxy}oxan-2-yl)methyl 2-(4-hydroxycyclohex-1-en-1-yl)acetate
(3,4,5-trihydroxy-6-{[2-(4-hydroxycyclohex-1-en-1-yl)acetyl]oxy}oxan-2-yl)methyl 2-(4-hydroxycyclohex-1-en-1-yl)acetate
(3r,3ar,4r,6ar,8s,9ar,9br)-4-hydroxy-3-(methoxymethyl)-6,9-dimethylidene-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3h-azuleno[4,5-b]furan-2-one
(3r,3ar,4r,6ar,8s,9ar,9br)-4-hydroxy-3-(methoxymethyl)-6,9-dimethylidene-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3h-azuleno[4,5-b]furan-2-one
4-deacetyltaxagifine iii
NA
{"Ingredient_id": "HBIN010310","Ingredient_name": "4-deacetyltaxagifine iii","Alias": "NA","Ingredient_formula": "C22H32O10","Ingredient_Smile": "CC(=O)OC1CC2C(CO2)(C3C1(C(=O)C(C4(C5(COC4(C(CC5C3O)O)C)C)O)O)C)O","Ingredient_weight": "456.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4777","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101607468","DrugBank_id": "NA"}
{6-[2-(1,4-dihydroxycyclohexyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 2-(4-hydroxyphenyl)acetate
{6-[2-(1,4-dihydroxycyclohexyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 2-(4-hydroxyphenyl)acetate
methyl 1-{[(5-{[5-({[2-(methoxycarbonyl)pyrrolidin-1-yl]imino}methyl)furan-2-yl]methyl}furan-2-yl)methylidene]amino}pyrrolidine-2-carboxylate
methyl 1-{[(5-{[5-({[2-(methoxycarbonyl)pyrrolidin-1-yl]imino}methyl)furan-2-yl]methyl}furan-2-yl)methylidene]amino}pyrrolidine-2-carboxylate
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{2-[(1s,4s)-1,4-dihydroxycyclohexyl]ethoxy}oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{2-[(1s,4s)-1,4-dihydroxycyclohexyl]ethoxy}oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
(1r,2r,3r,5s,6r,9r,10r,11r,13s,14s,19s)-2,5,10,11,19-pentahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.0³,⁹.0⁶,¹⁰.0¹⁶,¹⁹]nonadecan-14-yl acetate
(1r,2r,3r,5s,6r,9r,10r,11r,13s,14s,19s)-2,5,10,11,19-pentahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.0³,⁹.0⁶,¹⁰.0¹⁶,¹⁹]nonadecan-14-yl acetate
2-(dec-8-en-4,6-diyn-1-yloxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol
2-(dec-8-en-4,6-diyn-1-yloxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol
methyl (2s)-1-{[(5-{[5-({[(2s)-2-(methoxycarbonyl)pyrrolidin-1-yl]imino}methyl)furan-2-yl]methyl}furan-2-yl)methylidene]amino}pyrrolidine-2-carboxylate
methyl (2s)-1-{[(5-{[5-({[(2s)-2-(methoxycarbonyl)pyrrolidin-1-yl]imino}methyl)furan-2-yl]methyl}furan-2-yl)methylidene]amino}pyrrolidine-2-carboxylate
2,5,10,11,19-pentahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.0³,⁹.0⁶,¹⁰.0¹⁶,¹⁹]nonadecan-14-yl acetate
2,5,10,11,19-pentahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.0³,⁹.0⁶,¹⁰.0¹⁶,¹⁹]nonadecan-14-yl acetate
(1r,2r,3r,5s,6r,9r,10r,11r,13s,14s,16r,19s)-2,5,10,11,19-pentahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.0³,⁹.0⁶,¹⁰.0¹⁶,¹⁹]nonadecan-14-yl acetate
(1r,2r,3r,5s,6r,9r,10r,11r,13s,14s,16r,19s)-2,5,10,11,19-pentahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.0³,⁹.0⁶,¹⁰.0¹⁶,¹⁹]nonadecan-14-yl acetate
4-hydroxy-3-(methoxymethyl)-6,9-dimethylidene-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3h-azuleno[4,5-b]furan-2-one
4-hydroxy-3-(methoxymethyl)-6,9-dimethylidene-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3h-azuleno[4,5-b]furan-2-one
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(4s)-4-hydroxycyclohex-1-en-1-yl]acetyl}oxy)oxan-2-yl]methyl 2-[(4s)-4-hydroxycyclohex-1-en-1-yl]acetate
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(4s)-4-hydroxycyclohex-1-en-1-yl]acetyl}oxy)oxan-2-yl]methyl 2-[(4s)-4-hydroxycyclohex-1-en-1-yl]acetate