.BETA.-D-GLUCOPYRANURONIC ACID, 1-((6S)-6-(((2S)-2-(((2R)-2-AMINO-2-CARBOXYETHYL)DITHIO)-1-OXO-3-PHENYLPROPYL)AMINO)HEXAHYDRO-2,2-DIMETHYL-7-OXO-1H-AZEPINE-1-ACETATE)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H39N3O12S2
Molecular Weight	673.752
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-((6S)-6-(((2S)-2-(((2R)-2-AMINO-2-CARBOXYETHYL)DITHIO)-1-OXO-3-PHENYLPROPYL)AMINO)HEXAHYDRO-2,2-DIMETHYL-7-OXO-1H-AZEPINE-1-ACETATE)

Structure Search

SMILES

CC1(C)CCC[C@H](NC(=O)[C@H](CC2=CC=CC=C2)SSC[C@H](N)C(O)=O)C(=O)N1CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=AAVNTHLTPGSTFF-KLPVVVBTSA-N

InChI=1S/C28H39N3O12S2/c1-28(2)10-6-9-16(30-23(36)17(11-14-7-4-3-5-8-14)45-44-13-15(29)25(38)39)24(37)31(28)12-18(32)42-27-21(35)19(33)20(34)22(43-27)26(40)41/h3-5,7-8,15-17,19-22,27,33-35H,6,9-13,29H2,1-2H3,(H,30,36)(H,38,39)(H,40,41)/t15-,16-,17-,19-,20-,21+,22-,27+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

.BETA.-D-GLUCOPYRANURONIC ACID, 1-((6S)-6-(((2S)-2-(((2R)-2-AMINO-2-CARBOXYETHYL)DITHIO)-1-OXO-3-PHENYLPROPYL)AMINO)HEXAHYDRO-2,2-DIMETHYL-7-OXO-1H-AZEPINE-1-ACETATE)

Systematic Name

English

GEMOPATRILAT METABOLITE M5

Common Name

English

Code System Code Type Description

FDA UNII

YU78Z7XX9G

Created by admin on Sat Dec 16 16:12:50 GMT 2023 , Edited by admin on Sat Dec 16 16:12:50 GMT 2023

PRIMARY

PUBCHEM

156613636

Created by admin on Sat Dec 16 16:12:50 GMT 2023 , Edited by admin on Sat Dec 16 16:12:50 GMT 2023

PRIMARY

CAS

908118-76-3

Created by admin on Sat Dec 16 16:12:50 GMT 2023 , Edited by admin on Sat Dec 16 16:12:50 GMT 2023

PRIMARY

PARENT (METABOLITE)


					MU9089C77W

GEMOPATRILAT

SUBSTANCE RECORD


					YU78Z7XX9G

.BETA.-D-GLUCOPYRANURONIC ACID, 1-((6S)-6-(((2S)-2-(((2R)-2-AMINO-2-CARBOXYETHYL)DITHIO)-1-OXO-3-PHENYLPROPYL)AMINO)HEXAHYDRO-2,2-DIMETHYL-7-OXO-1H-AZEPINE-1-ACETATE)