Exact Mass: 616.2679

Exact Mass Matches: 616.2679

Found 70 metabolites which its exact mass value is equals to given mass value 616.2679, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Casopitant

4-(4-acetylpiperazin-1-yl)-N-{1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide

C30H35F7N4O2 (616.2648)

5,10,15,20-Tetraphenyl-21,22,23,24-tetrahydroporphyrin

2,7,12,17-tetraphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11,13,15,17,19-decaene

C44H32N4 (616.2627)

Glu Pro Trp Trp

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

C32H36N6O7 (616.2645)

Glu Trp Pro Trp

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

C32H36N6O7 (616.2645)

Glu Trp Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C32H36N6O7 (616.2645)

Phe His Gln Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C31H36N8O6 (616.2758)

Phe His Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C31H36N8O6 (616.2758)

Phe Gln His Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C31H36N8O6 (616.2758)

Phe Gln Trp His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C31H36N8O6 (616.2758)

Phe Trp His Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C31H36N8O6 (616.2758)

Phe Trp Gln His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C31H36N8O6 (616.2758)

His Phe Gln Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C31H36N8O6 (616.2758)

His Phe Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C31H36N8O6 (616.2758)

His Gln Phe Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C31H36N8O6 (616.2758)

His Gln Trp Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid

C31H36N8O6 (616.2758)

His Trp Phe Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid

C31H36N8O6 (616.2758)

His Trp Gln Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid

C31H36N8O6 (616.2758)

Pro Glu Trp Trp

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

C32H36N6O7 (616.2645)

Pro Trp Glu Trp

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

C32H36N6O7 (616.2645)

Pro Trp Trp Glu

(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]pentanedioic acid

C32H36N6O7 (616.2645)

Gln Phe His Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C31H36N8O6 (616.2758)

Gln Phe Trp His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C31H36N8O6 (616.2758)

Gln His Phe Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C31H36N8O6 (616.2758)

Gln His Trp Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid

C31H36N8O6 (616.2758)

Gln Trp Phe His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C31H36N8O6 (616.2758)

Gln Trp His Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid

C31H36N8O6 (616.2758)

Trp Glu Pro Trp

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-[(2S)-2-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C32H36N6O7 (616.2645)

Trp Glu Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C32H36N6O7 (616.2645)

Trp Phe His Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C31H36N8O6 (616.2758)

Trp Phe Gln His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C31H36N8O6 (616.2758)

Trp His Phe Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid

C31H36N8O6 (616.2758)

Trp His Gln Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid

C31H36N8O6 (616.2758)

Trp Pro Glu Trp

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

C32H36N6O7 (616.2645)

Trp Pro Trp Glu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C32H36N6O7 (616.2645)

Trp Gln Phe His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C31H36N8O6 (616.2758)

Trp Gln His Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid

C31H36N8O6 (616.2758)

Trp Trp Glu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C32H36N6O7 (616.2645)

Trp Trp Pro Glu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C32H36N6O7 (616.2645)

5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin

C44H32N4 (616.2627)

Casopitant

CID 10232719

C30H35F7N4O2 (616.2648)

A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents

5,10,15,20-Tetraphenyl-22,24-dihydro-21H,23H-porphyrin

C44H32N4 (616.2627)

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

C30H35F3N6O5 (616.2621)

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

C30H35F3N6O5 (616.2621)

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

C30H35F3N6O5 (616.2621)

1-(4-fluorophenyl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

C32H36F4N4O4 (616.2673)

1-(4-fluorophenyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

C32H36F4N4O4 (616.2673)

LPGP 20:2

C26H50O12P2 (616.2777)

ST 23:2;O8;GlcA

C29H44O14 (616.2731)

(R)-Casopitant

C30H35F7N4O2 (616.2648)

(R)-Casopitant ((R)-GW679769) is the isomer of Casopitant (HY-14405). Casopitant is a NK(1)-receptor antagonist. Casopitant can be used for the research of chemotherapy-induced nausea and vomiting[1][2].

(4as,5r,8ar)-5-{[(1r,4as,7s,8as)-7-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-hexahydronaphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

(4as,5r,8ar)-5-{[(1r,4as,7s,8as)-7-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-hexahydronaphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

C36H40O9 (616.2672)

10-benzyl-7,13-bis(1-hydroxyethyl)-4-methyl-16-(sec-butyl)-18-thia-3,6,9,12,15,20-hexaazabicyclo[15.2.1]icosa-1(19),2,5,8,11,14,17(20)-heptaene-2,5,8,11,14-pentol

C29H40N6O7S (616.2679)

[(1s,3r,6s,7r,8r,11s,12s,15r,16r)-7,12,16-trimethyl-15-[(2r)-6-methyl-4-oxohept-5-en-2-yl]-7-[(sulfooxy)methyl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxidanesulfonic acid

C30H48O9S2 (616.274)

(4s,7r,10s,13r,16s)-10-benzyl-16-[(2s)-butan-2-yl]-7,13-bis[(1s)-1-hydroxyethyl]-4-methyl-18-thia-3,6,9,12,15,20-hexaazabicyclo[15.2.1]icosa-1(19),2,5,8,11,14,17(20)-heptaene-2,5,8,11,14-pentol

C29H40N6O7S (616.2679)

(4as,5r,8ar)-5-{[(1s,4as,8as)-1-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

(4as,5r,8ar)-5-{[(1s,4as,8as)-1-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

C36H40O9 (616.2672)

(4as,5r,8ar)-5-{[(1r,4ar,5r,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3-oxo-hexahydronaphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

(4as,5r,8ar)-5-{[(1r,4ar,5r,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3-oxo-hexahydronaphthalen-1-yl]methyl}-4a-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

C36H40O9 (616.2672)

(1r,3r,4s,5r,7s,8s,9r,10e,12s,13s,14r)-4-(acetyloxy)-8-(benzoyloxy)-9-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-13-yl benzoate

C36H40O9 (616.2672)

(1r,3r,4s,5r,7s,8s,9r,10e,12s,13s,14s)-4-(acetyloxy)-8-(benzoyloxy)-9-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-13-yl benzoate

C36H40O9 (616.2672)

(1r,4ar,5r,7s,8ar)-5-{[(1r,4ar,8as)-8a-(5,7-dihydroxy-4-oxochromen-2-yl)-6-methoxy-2-methyl-5,8-dioxo-4,4a-dihydro-1h-naphthalen-1-yl]methyl}-7-hydroxy-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carbaldehyde

(1r,4ar,5r,7s,8ar)-5-{[(1r,4ar,8as)-8a-(5,7-dihydroxy-4-oxochromen-2-yl)-6-methoxy-2-methyl-5,8-dioxo-4,4a-dihydro-1h-naphthalen-1-yl]methyl}-7-hydroxy-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carbaldehyde

C36H40O9 (616.2672)

4a-(5,7-dihydroxy-4-oxochromen-2-yl)-5-[(7-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-hexahydronaphthalen-1-yl)methyl]-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

C36H40O9 (616.2672)

4a-(5,7-dihydroxy-4-oxochromen-2-yl)-5-[(1-hydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl)methyl]-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

C36H40O9 (616.2672)

5-{[8a-(5,7-dihydroxy-4-oxochromen-2-yl)-6-methoxy-2-methyl-5,8-dioxo-4,4a-dihydro-1h-naphthalen-1-yl]methyl}-7-hydroxy-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carbaldehyde

C36H40O9 (616.2672)

4a-(5,7-dihydroxy-4-oxochromen-2-yl)-5-{[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3-oxo-hexahydronaphthalen-1-yl]methyl}-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

C36H40O9 (616.2672)