(3S)-HEXAHYDRO-7,7-DIMETHYL-3-(((2S)-2-(METHYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-2-OXO-1H-AZEPINE-1-ACETIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28N2O4S
Molecular Weight	392.512
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3S)-HEXAHYDRO-7,7-DIMETHYL-3-(((2S)-2-(METHYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-2-OXO-1H-AZEPINE-1-ACETIC ACID

Structure Search

SMILES

CS[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CCCC(C)(C)N(CC(O)=O)C2=O

InChI

InChIKey=BJMKUWZXAYPFKO-HOTGVXAUSA-N

InChI=1S/C20H28N2O4S/c1-20(2)11-7-10-15(19(26)22(20)13-17(23)24)21-18(25)16(27-3)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3,(H,21,25)(H,23,24)/t15-,16-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(3S)-HEXAHYDRO-7,7-DIMETHYL-3-(((2S)-2-(METHYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-2-OXO-1H-AZEPINE-1-ACETIC ACID

Systematic Name

English

GEMOPATRILAT METABOLITE M13

Preferred Name

English

1H-AZEPINE-1-ACETIC ACID, HEXAHYDRO-7,7-DIMETHYL-3-(((2S)-2-(METHYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-2-OXO-, (3S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

NY5K737R3L

Created by admin on Wed Apr 02 08:09:58 GMT 2025 , Edited by admin on Wed Apr 02 08:09:58 GMT 2025

PRIMARY

CAS

908118-81-0

Created by admin on Wed Apr 02 08:09:58 GMT 2025 , Edited by admin on Wed Apr 02 08:09:58 GMT 2025

PRIMARY

PUBCHEM

156596393

Created by admin on Wed Apr 02 08:09:58 GMT 2025 , Edited by admin on Wed Apr 02 08:09:58 GMT 2025

PRIMARY

PARENT (METABOLITE)


					MU9089C77W

GEMOPATRILAT

SUBSTANCE RECORD


					NY5K737R3L

(3S)-HEXAHYDRO-7,7-DIMETHYL-3-(((2S)-2-(METHYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-2-OXO-1H-AZEPINE-1-ACETIC ACID