.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((2S,4S,5S,7S)-4-AMINO-7-(((3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)AMINO)CARBONYL)-5-HYDROXY-8-METHYL-2-(1-METHYLETHYL)NONYL)-2-METHOXYPHENYL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H53N3O11
Molecular Weight	655.7767
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((2S,4S,5S,7S)-4-AMINO-7-(((3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)AMINO)CARBONYL)-5-HYDROXY-8-METHYL-2-(1-METHYLETHYL)NONYL)-2-METHOXYPHENYL

Structure Search

SMILES

COC1=CC=C(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)C=C1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O

InChI

InChIKey=NYEBHWKRRSTHJB-LFOPDFBESA-N

InChI=1S/C32H53N3O11/c1-15(2)18(12-20(33)21(36)13-19(16(3)4)28(40)35-14-32(5,6)31(34)43)10-17-8-9-22(44-7)23(11-17)45-30-26(39)24(37)25(38)27(46-30)29(41)42/h8-9,11,15-16,18-21,24-27,30,36-39H,10,12-14,33H2,1-7H3,(H2,34,43)(H,35,40)(H,41,42)/t18-,19-,20-,21-,24-,25-,26+,27-,30+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((2S,4S,5S,7S)-4-AMINO-7-(((3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)AMINO)CARBONYL)-5-HYDROXY-8-METHYL-2-(1-METHYLETHYL)NONYL)-2-METHOXYPHENYL

Systematic Name

English

ALISKIREN METABOLITE M6

Common Name

English

5-((2S,4S,5S,7S)-4-AMINO-7-(((3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)AMINO)CARBONYL)-5-HYDROXY-8-METHYL-2-(1-METHYLETHYL)NONYL)-2-METHOXYPHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

Code System Code Type Description

CAS

949925-78-4

Created by admin on Sat Dec 16 15:13:08 GMT 2023 , Edited by admin on Sat Dec 16 15:13:08 GMT 2023

PRIMARY

FDA UNII

FK994FE8SE

Created by admin on Sat Dec 16 15:13:08 GMT 2023 , Edited by admin on Sat Dec 16 15:13:08 GMT 2023

PRIMARY

PUBCHEM