Exact Mass: 587.1688652

Exact Mass Matches: 587.1688652

Found 60 metabolites which its exact mass value is equals to given mass value 587.1688652, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Barasertib

2-((3-((4-((5-(2-((3-Fluorophenyl)amino)-2-oxoethyl)-1H-pyrazol-3-yl)amino)quinazolin-7-yl)oxy)propyl)(ethyl)amino)ethyl dihydrogen phosphate

C26H31FN7O6P (587.2057368)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

(S)-3-(4-(1-(3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl)ethyl)benzamido)propanoic acid

3-[(4-{1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl]ethyl}phenyl)formamido]propanoic acid

C32H27Cl2N3O4 (587.1378522)


   

Quinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)-

Quinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)-

C31H29N3O5S2 (587.1548544000001)


   
   
   
   

3,10,11-triacetoxy-8beta-(4-acetoxybenzyl)-2-methoxyberbine|3,10,11-triacetoxy-8beta-<4-acetoxybenzyl>-2-methoxyberbine

3,10,11-triacetoxy-8beta-(4-acetoxybenzyl)-2-methoxyberbine|3,10,11-triacetoxy-8beta-<4-acetoxybenzyl>-2-methoxyberbine

C33H33NO9 (587.2155208)


   
   
   

Asp His Met Trp

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

C26H33N7O7S (587.2162068)


   

Asp His Trp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C26H33N7O7S (587.2162068)


   

Asp Met His Trp

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

C26H33N7O7S (587.2162068)


   

Asp Met Trp His

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

C26H33N7O7S (587.2162068)


   

Asp Trp His Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C26H33N7O7S (587.2162068)


   

Asp Trp Met His

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

C26H33N7O7S (587.2162068)


   

His Asp Met Trp

(3S)-3-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C26H33N7O7S (587.2162068)


   

His Asp Trp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C26H33N7O7S (587.2162068)


   

His Met Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C26H33N7O7S (587.2162068)


   

His Met Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C26H33N7O7S (587.2162068)


   

His Trp Asp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C26H33N7O7S (587.2162068)


   

His Trp Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C26H33N7O7S (587.2162068)


   

Met Asp His Trp

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

C26H33N7O7S (587.2162068)


   

Met Asp Trp His

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

C26H33N7O7S (587.2162068)


   

Met His Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C26H33N7O7S (587.2162068)


   

Met His Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C26H33N7O7S (587.2162068)


   

Met Trp Asp His

(3S)-3-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C26H33N7O7S (587.2162068)


   

Met Trp His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C26H33N7O7S (587.2162068)


   

Trp Asp His Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C26H33N7O7S (587.2162068)


   

Trp Asp Met His

(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C26H33N7O7S (587.2162068)


   

Trp His Asp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C26H33N7O7S (587.2162068)


   

Trp His Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C26H33N7O7S (587.2162068)


   

Trp Met Asp His

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C26H33N7O7S (587.2162068)


   

Trp Met His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C26H33N7O7S (587.2162068)


   

((1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)METHYL)TRIPHENYLPHOSPHONIUM IODIDE

((1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)METHYL)TRIPHENYLPHOSPHONIUM IODIDE

C29H35INO2P (587.145005)


   

2-[Ethyl[3-[[4-[[1-[2-[(3-fluorophenyl)amino]-2-oxoethyl]-1H-pyrazol-4-yl]amino]quinazolin-7-yl]oxy]propyl]amino]ethyl dihydrogen phosphate

2-[Ethyl[3-[[4-[[1-[2-[(3-fluorophenyl)amino]-2-oxoethyl]-1H-pyrazol-4-yl]amino]quinazolin-7-yl]oxy]propyl]amino]ethyl dihydrogen phosphate

C26H31FN7O6P (587.2057368)


   
   

MK 0893

(S)-3-(4-(1-(3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl)ethyl)benzamido)propanoic acid

C32H27Cl2N3O4 (587.1378522)


   

6-(1-METHANESULFONYL-1-METHYL-ETHYL)-8-(3-[(E)-2-(4-METHANESULFONYL-PHENYL)-2-(3-METHYL-[1,2,4]OXADIAZOL-5-YL)-VINYL]-PHENYL)-QUINOLINE

6-(1-METHANESULFONYL-1-METHYL-ETHYL)-8-(3-[(E)-2-(4-METHANESULFONYL-PHENYL)-2-(3-METHYL-[1,2,4]OXADIAZOL-5-YL)-VINYL]-PHENYL)-QUINOLINE

C31H29N3O5S2 (587.1548544000001)


   

Vestipitant Mesylate

Vestipitant Mesylate

C24H28F7N3O4S (587.1688652)


C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent

   

3-(4-(1-(3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-YL)-1H-pyrazol-1-YL)ethyl)benzamido)propanoic acid

3-(4-(1-(3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-YL)-1H-pyrazol-1-YL)ethyl)benzamido)propanoic acid

C32H27Cl2N3O4 (587.1378522)


   

(Z)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)vinyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline

(Z)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)vinyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline

C31H29N3O5S2 (587.1548544000001)


   

9-(Dimethylamino)-1-{4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}-11,11-dimethyl-2,3,4,11-tetrahydronaphtho[2,3-g]quinolinium perchlorate

9-(Dimethylamino)-1-{4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}-11,11-dimethyl-2,3,4,11-tetrahydronaphtho[2,3-g]quinolinium perchlorate

C29H34ClN3O8 (587.2034314000001)


   

1-[2-[3-Carboxylato-5-[[3-carboxylato-3-(2-carboxylato-2-hydroxy-5-oxopyrrolidin-1-yl)propyl]amino]-3-hydroxy-5-oxopentanoyl]oxyethyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylate

1-[2-[3-Carboxylato-5-[[3-carboxylato-3-(2-carboxylato-2-hydroxy-5-oxopyrrolidin-1-yl)propyl]amino]-3-hydroxy-5-oxopentanoyl]oxyethyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylate

C22H25N3O16-4 (587.123477)


   

1-[1-carboxylato-3-({(3R)-3-carboxylato-5-[2-(2-carboxylato-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-3-hydroxy-5-oxopentanoyl}amino)propyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylate

1-[1-carboxylato-3-({(3R)-3-carboxylato-5-[2-(2-carboxylato-2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]-3-hydroxy-5-oxopentanoyl}amino)propyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylate

C22H25N3O16-4 (587.123477)


   

N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

C29H35Cl2N5O4 (587.206597)


   

N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

C29H35Cl2N5O4 (587.206597)


   

N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

C29H35Cl2N5O4 (587.206597)


   
   

Barasertib

Barasertib

C26H31FN7O6P (587.2057368)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

Phosphoramidon (Disodium)

Phosphoramidon (Disodium)

C23H32N3Na2O10P (587.1620621999999)


Phosphoramidon Disodium, a microbial metabolite, is a specific metalloprotease thermolysin inhibitor with an IC50 of 0.4 μg/mL. Phosphoramidon Disodium also inhibits endothelin-converting enzyme (ECE), neutral endopeptidase (NEP), and angiotensin-converting enzyme (ACE) with IC50 values of 3.5, 0.034, and 78 μM, respectively[1][2][3].

   

(2's,3's,4r)-2'-(6-bromo-1h-indol-3-yl)-2''-imino-1,1'',3,3''-tetramethyl-4',9'-dihydro-2'h-dispiro[imidazolidine-4,1'-carbazole-3',4''-imidazolidine]-2,5,5''-trione

(2's,3's,4r)-2'-(6-bromo-1h-indol-3-yl)-2''-imino-1,1'',3,3''-tetramethyl-4',9'-dihydro-2'h-dispiro[imidazolidine-4,1'-carbazole-3',4''-imidazolidine]-2,5,5''-trione

C28H26BrN7O3 (587.1280386)


   

(2's,3's,4r)-2'-(6-bromo-1h-indol-3-yl)-2-imino-1,1'',3,3''-tetramethyl-4',9'-dihydro-2'h-dispiro[imidazolidine-4,1'-carbazole-3',4''-imidazolidine]-2'',5,5''-trione

(2's,3's,4r)-2'-(6-bromo-1h-indol-3-yl)-2-imino-1,1'',3,3''-tetramethyl-4',9'-dihydro-2'h-dispiro[imidazolidine-4,1'-carbazole-3',4''-imidazolidine]-2'',5,5''-trione

C28H26BrN7O3 (587.1280386)


   

17,18-dichloro-1,4,7,11-tetrahydroxy-3-(1-hydroxyethyl)-6,13-bis(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,16h,17h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

17,18-dichloro-1,4,7,11-tetrahydroxy-3-(1-hydroxyethyl)-6,13-bis(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,16h,17h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

C24H31Cl2N5O8 (587.1549586)


   

4-{[(5s)-8-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,5-dihydroxy-3-methyl-7,12-dioxo-5h-6-azatetraphen-6-yl]methyl}benzoic acid

4-{[(5s)-8-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,5-dihydroxy-3-methyl-7,12-dioxo-5h-6-azatetraphen-6-yl]methyl}benzoic acid

C32H29NO10 (587.1791374000001)


   

(3s,6s,9r,13s,17r,18s,18ar)-17,18-dichloro-1,4,7,11-tetrahydroxy-3-[(1r)-1-hydroxyethyl]-6,13-bis(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,16h,17h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

(3s,6s,9r,13s,17r,18s,18ar)-17,18-dichloro-1,4,7,11-tetrahydroxy-3-[(1r)-1-hydroxyethyl]-6,13-bis(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,16h,17h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

C24H31Cl2N5O8 (587.1549586)


   

(3s)-3-(3,4-dibromo-5-hydroxyphenyl)-1-hexadecanoyl-3-hydroxypyrrolidin-2-one

(3s)-3-(3,4-dibromo-5-hydroxyphenyl)-1-hexadecanoyl-3-hydroxypyrrolidin-2-one

C26H39Br2NO4 (587.1245653999999)


   

2'-(6-bromo-1h-indol-3-yl)-2''-imino-1,1'',3,3''-tetramethyl-4',9'-dihydro-2'h-dispiro[imidazolidine-4,1'-carbazole-3',4''-imidazolidine]-2,5,5''-trione

2'-(6-bromo-1h-indol-3-yl)-2''-imino-1,1'',3,3''-tetramethyl-4',9'-dihydro-2'h-dispiro[imidazolidine-4,1'-carbazole-3',4''-imidazolidine]-2,5,5''-trione

C28H26BrN7O3 (587.1280386)


   

3-(3,4-dibromo-5-hydroxyphenyl)-1-hexadecanoyl-3-hydroxypyrrolidin-2-one

3-(3,4-dibromo-5-hydroxyphenyl)-1-hexadecanoyl-3-hydroxypyrrolidin-2-one

C26H39Br2NO4 (587.1245653999999)


   

2'-(6-bromo-1h-indol-3-yl)-2-imino-1,1'',3,3''-tetramethyl-4',9'-dihydro-2'h-dispiro[imidazolidine-4,1'-carbazole-3',4''-imidazolidine]-2'',5,5''-trione

2'-(6-bromo-1h-indol-3-yl)-2-imino-1,1'',3,3''-tetramethyl-4',9'-dihydro-2'h-dispiro[imidazolidine-4,1'-carbazole-3',4''-imidazolidine]-2'',5,5''-trione

C28H26BrN7O3 (587.1280386)