3-[[[(2S,4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercaptopyrrolidin-2-yl]carbonyl]amino]benzoic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19N3O7S
Molecular Weight	445.446
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-[[[(2S,4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercaptopyrrolidin-2-yl]carbonyl]amino]benzoic acid

Structure Search

SMILES

OC(=O)C1=CC(NC(=O)[C@@H]2C[C@H](S)CN2C(=O)OCC3=CC=C(C=C3)[N+]([O-])=O)=CC=C1

InChI

InChIKey=RTQKWWOSWDCUMA-IRXDYDNUSA-N

InChI=1S/C20H19N3O7S/c24-18(21-14-3-1-2-13(8-14)19(25)26)17-9-16(31)10-22(17)20(27)30-11-12-4-6-15(7-5-12)23(28)29/h1-8,16-17,31H,9-11H2,(H,21,24)(H,25,26)/t16-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H19N3O7S
Molecular Weight	445.446
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 17:39:27 GMT 2025` Edited by `admin` on `Wed Apr 02 17:39:27 GMT 2025`
Record UNII	33DAX2G5P2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-[[[(2S,4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercaptopyrrolidin-2-yl]carbonyl]amino]benzoic acid

Systematic Name

English

1-Pyrrolidinecarboxylic acid, 2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-, 1-[(4-nitrophenyl)methyl] ester, (2S,4S)-

Preferred Name

English

1-Pyrrolidinecarboxylic acid, 2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-, 1-[(4-nitrophenyl)methyl] ester, (2S-cis)-

Systematic Name

English

1-[(4-Nitrophenyl)methyl] (2S,4S)-2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-1-pyrrolidinecarboxylate

Systematic Name

English

Code System Code Type Description

PUBCHEM

15409260

Created by admin on Wed Apr 02 17:39:27 GMT 2025 , Edited by admin on Wed Apr 02 17:39:27 GMT 2025

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CAS

202467-69-4

Created by admin on Wed Apr 02 17:39:27 GMT 2025 , Edited by admin on Wed Apr 02 17:39:27 GMT 2025

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EPA CompTox

DTXSID201110222

Created by admin on Wed Apr 02 17:39:27 GMT 2025 , Edited by admin on Wed Apr 02 17:39:27 GMT 2025

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FDA UNII

33DAX2G5P2

Created by admin on Wed Apr 02 17:39:27 GMT 2025 , Edited by admin on Wed Apr 02 17:39:27 GMT 2025

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