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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H27N2O6PS
Molecular Weight 430.456
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid

SMILES

CC(C)OP(=O)(OC(C)C)N1C[C@@H](S)C[C@H]1C(=O)NC2=CC=CC(=C2)C(O)=O

InChI

InChIKey=CKLWFRGLRHJOQP-HOTGVXAUSA-N
InChI=1S/C18H27N2O6PS/c1-11(2)25-27(24,26-12(3)4)20-10-15(28)9-16(20)17(21)19-14-7-5-6-13(8-14)18(22)23/h5-8,11-12,15-16,28H,9-10H2,1-4H3,(H,19,21)(H,22,23)/t15-,16-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid
Systematic Name English
Ertapenem Impurity DIPP
Preferred Name English
3-[[[(2S,4S)-1-[Bis(1-methylethoxy)phosphinyl]-4-mercapto-2-pyrrolidinyl]carbonyl]amino]benzoic acid
Systematic Name English
Benzoic acid, 3-[[[(2S,4S)-1-[bis(1-methylethoxy)phosphinyl]-4-mercapto-2-pyrrolidinyl]carbonyl]amino]-
Systematic Name English
Code System Code Type Description
PUBCHEM
9954394
Created by admin on Wed Apr 02 18:53:31 GMT 2025 , Edited by admin on Wed Apr 02 18:53:31 GMT 2025
PRIMARY
FDA UNII
4MM5LB8SFS
Created by admin on Wed Apr 02 18:53:31 GMT 2025 , Edited by admin on Wed Apr 02 18:53:31 GMT 2025
PRIMARY
CAS
220031-86-7
Created by admin on Wed Apr 02 18:53:31 GMT 2025 , Edited by admin on Wed Apr 02 18:53:31 GMT 2025
PRIMARY