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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H16N2O3S
Molecular Weight 244.311
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

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

SMILES

[H][C@]12CCC[C@H](N1C(=O)[C@@H](N)CCS2)C(O)=O

InChI

InChIKey=MBCSFOJJEQRYIM-FXQIFTODSA-N
InChI=1S/C10H16N2O3S/c11-6-4-5-16-8-3-1-2-7(10(14)15)12(8)9(6)13/h6-8H,1-5,11H2,(H,14,15)/t6-,7-,8-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
(4S,7S,10AS)-4-AMINOOCTAHYDRO-5-OXO-7H-PYRIDO(2,1-B)(1,3)THIAZEPINE-7-CARBOXYLIC ACID
Systematic Name English
OMAPATRILAT METABOLITE M1-A
Common Name English
7H-PYRIDO(2,1-B)(1,3)THIAZEPINE-7-CARBOXYLIC ACID, 4-AMINOOCTAHYDRO-5-OXO-, (4S,7S,10AS)-
Systematic Name English
Code System Code Type Description
FDA UNII
KG89UN2CU6
Created by admin on Sat Dec 16 16:36:01 GMT 2023 , Edited by admin on Sat Dec 16 16:36:01 GMT 2023
PRIMARY
CAS
508181-77-9
Created by admin on Sat Dec 16 16:36:01 GMT 2023 , Edited by admin on Sat Dec 16 16:36:01 GMT 2023
PRIMARY
PUBCHEM
11390894
Created by admin on Sat Dec 16 16:36:01 GMT 2023 , Edited by admin on Sat Dec 16 16:36:01 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of OMAPATRILAT
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