(2S,3S,4S,5R,6S)-6-(3-((3R,4R)-1-((2S)-2-BENZYL-3-HYDROXY-3-OXO-PROPYL)-3,4-DIMETHYL-4-PIPERIDYL)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H37NO9
Molecular Weight	543.6054
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-6-(3-((3R,4R)-1-((2S)-2-BENZYL-3-HYDROXY-3-OXO-PROPYL)-3,4-DIMETHYL-4-PIPERIDYL)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(O)=O)CC[C@@]1(C)C3=CC=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3

InChI

InChIKey=GTTQMFRQAOMRCA-WVNIWRFFSA-N

InChI=1S/C29H37NO9/c1-17-15-30(16-19(26(34)35)13-18-7-4-3-5-8-18)12-11-29(17,2)20-9-6-10-21(14-20)38-28-24(33)22(31)23(32)25(39-28)27(36)37/h3-10,14,17,19,22-25,28,31-33H,11-13,15-16H2,1-2H3,(H,34,35)(H,36,37)/t17-,19-,22-,23-,24+,25-,28+,29+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R,6S)-6-(3-((3R,4R)-1-((2S)-2-BENZYL-3-HYDROXY-3-OXO-PROPYL)-3,4-DIMETHYL-4-PIPERIDYL)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

ALVIMOPAN METABOLITE H7

Preferred Name

English

GLUCURONIDE OF ALVIMOPAN METABOLITE H3

Common Name

English

Code System Code Type Description

PUBCHEM

156613593

Created by admin on Wed Apr 02 04:48:01 GMT 2025 , Edited by admin on Wed Apr 02 04:48:01 GMT 2025