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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H27N3O7S
Molecular Weight 489.541
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[[4-[(3S,4S)-3-(Acetamidomethyl)-4-phenyl-pyrrolidine-1-carbonyl]oxybenzoyl]amino]ethanesulfonic acid

SMILES

CC(=O)NC[C@H]1CN(C[C@@H]1C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C(=O)NCCS(O)(=O)=O

InChI

InChIKey=CNBYSEBVSHHYPC-PZJWPPBQSA-N
InChI=1S/C23H27N3O7S/c1-16(27)25-13-19-14-26(15-21(19)17-5-3-2-4-6-17)23(29)33-20-9-7-18(8-10-20)22(28)24-11-12-34(30,31)32/h2-10,19,21H,11-15H2,1H3,(H,24,28)(H,25,27)(H,30,31,32)/t19-,21+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ASP-7991 metabolite M2
Preferred Name English
2-[[4-[(3S,4S)-3-(Acetamidomethyl)-4-phenyl-pyrrolidine-1-carbonyl]oxybenzoyl]amino]ethanesulfonic acid
Systematic Name English
ASP7991 metabolite M2
Code English
Code System Code Type Description
FDA UNII
3JFJ8Z8SMD
Created by admin on Wed Apr 02 20:31:58 GMT 2025 , Edited by admin on Wed Apr 02 20:31:58 GMT 2025
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