.BETA.-D-GLUCOPYRANURONIC ACID, 1-((4S,7S,10AS)-OCTAHYDRO-4-(((2S)-2-(METHYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-5-OXO-7H-PYRIDO(2,1-B)(1,3)THIAZEPINE-7-CARBOXYLATE)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H34N2O10S2
Molecular Weight	598.686
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-((4S,7S,10AS)-OCTAHYDRO-4-(((2S)-2-(METHYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-5-OXO-7H-PYRIDO(2,1-B)(1,3)THIAZEPINE-7-CARBOXYLATE)

Structure Search

SMILES

[H][C@]12CCC[C@H](N1C(=O)[C@H](CCS2)NC(=O)[C@H](CC3=CC=CC=C3)SC)C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=DKBQDNULMHLHAY-KAVWJLCZSA-N

InChI=1S/C26H34N2O10S2/c1-39-16(12-13-6-3-2-4-7-13)22(32)27-14-10-11-40-17-9-5-8-15(28(17)23(14)33)25(36)38-26-20(31)18(29)19(30)21(37-26)24(34)35/h2-4,6-7,14-21,26,29-31H,5,8-12H2,1H3,(H,27,32)(H,34,35)/t14-,15-,16-,17-,18-,19-,20+,21-,26-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

.BETA.-D-GLUCOPYRANURONIC ACID, 1-((4S,7S,10AS)-OCTAHYDRO-4-(((2S)-2-(METHYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-5-OXO-7H-PYRIDO(2,1-B)(1,3)THIAZEPINE-7-CARBOXYLATE)

Systematic Name

English

OMAPATRILAT METABOLITE M8

Common Name

English

Code System Code Type Description

FDA UNII

UA99JTD98S

Created by admin on Sat Dec 16 16:26:32 GMT 2023 , Edited by admin on Sat Dec 16 16:26:32 GMT 2023

PRIMARY

CAS

330589-11-2

Created by admin on Sat Dec 16 16:26:32 GMT 2023 , Edited by admin on Sat Dec 16 16:26:32 GMT 2023

PRIMARY

PUBCHEM

156596371

Created by admin on Sat Dec 16 16:26:32 GMT 2023 , Edited by admin on Sat Dec 16 16:26:32 GMT 2023

PRIMARY

PARENT (METABOLITE)


					36NLI90E7T

OMAPATRILAT

SUBSTANCE RECORD


					UA99JTD98S

.BETA.-D-GLUCOPYRANURONIC ACID, 1-((4S,7S,10AS)-OCTAHYDRO-4-(((2S)-2-(METHYLTHIO)-1-OXO-3-PHENYLPROPYL)AMINO)-5-OXO-7H-PYRIDO(2,1-B)(1,3)THIAZEPINE-7-CARBOXYLATE)