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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26N2O4S2
Molecular Weight 422.561
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4S,7S,10AS)-OCTAHYDRO-4-(((2S)-2-(METHYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-5-OXO-7H-PYRIDO(2,1-B)(1,3)THIAZEPINE-7-CARBOXYLIC ACID

SMILES

[H][C@]12CCC[C@H](N1C(=O)[C@H](CCS2)NC(=O)[C@H](CC3=CC=CC=C3)SC)C(O)=O

InChI

InChIKey=QBSDAEPCGKFUSO-QAETUUGQSA-N
InChI=1S/C20H26N2O4S2/c1-27-16(12-13-6-3-2-4-7-13)18(23)21-14-10-11-28-17-9-5-8-15(20(25)26)22(17)19(14)24/h2-4,6-7,14-17H,5,8-12H2,1H3,(H,21,23)(H,25,26)/t14-,15-,16-,17-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(4S,7S,10AS)-OCTAHYDRO-4-(((2S)-2-(METHYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-5-OXO-7H-PYRIDO(2,1-B)(1,3)THIAZEPINE-7-CARBOXYLIC ACID
Systematic Name English
7H-PYRIDO(2,1-B)(1,3)THIAZEPINE-7-CARBOXYLIC ACID, OCTAHYDRO-4-(((2S)-2-(METHYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-5-OXO-, (4S,7S,10AS)-
Systematic Name English
BMS 198433
Common Name English
OMAPATRILAT METABOLITE M9
Common Name English
Code System Code Type Description
PUBCHEM
6426747
Created by admin on Sat Dec 16 16:25:42 GMT 2023 , Edited by admin on Sat Dec 16 16:25:42 GMT 2023
PRIMARY
CAS
330589-08-7
Created by admin on Sat Dec 16 16:25:42 GMT 2023 , Edited by admin on Sat Dec 16 16:25:42 GMT 2023
PRIMARY
FDA UNII
X999Z889X9
Created by admin on Sat Dec 16 16:25:42 GMT 2023 , Edited by admin on Sat Dec 16 16:25:42 GMT 2023
PRIMARY