3-[[(4S)-1-(Diisopropoxyphosphinyl)-4alpha-mercapto-L-prolyl]amino]benzoic acid

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

Structure Search

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

Molecular Formula	C18H27N2O6PS
Molecular Weight	430.456
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:53:31 GMT 2025` Edited by `admin` on `Wed Apr 02 18:53:31 GMT 2025`
Record UNII	4MM5LB8SFS
Record Status	`Validated (UNII)`
Record Version

Download

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