5-[[(4S)-4-Amino-4-carboxy-1-oxobutyl]amino]-2-nitrobenzoic acid

CAS Registry Number®

53602-84-9

CAS Name

5-[[(4S)-4-Amino-4-carboxy-1-oxobutyl]amino]-2-nitrobenzoic acid

Molecular Formula

C12H13N3O7

Molecular Mass

311.25

Cite this Page

5-[[(4S)-4-Amino-4-carboxy-1-oxobutyl]amino]-2-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53602-84-9 (retrieved 2024-11-22) (CAS RN: 53602-84-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13N3O7/c13-8(12(19)20)2-4-10(16)14-6-1-3-9(15(21)22)7(5-6)11(17)18/h1,3,5,8H,2,4,13H2,(H,14,16)(H,17,18)(H,19,20)/t8-/m0/s1

InChIKey

InChIKey=AHFFWTMLFDZSOF-QMMMGPOBSA-N

SMILES

C(O)(=O)C1=C(N(=O)=O)C=CC(NC(CC[C@@H](C(O)=O)N)=O)=C1

Canonical SMILES

O=C(O)C1=CC(=CC=C1N(=O)=O)NC(=O)CCC(N)C(=O)O

Other Names for this Substance

  • Benzoic acid, 5-[[(4S)-4-amino-4-carboxy-1-oxobutyl]amino]-2-nitro-
  • Benzoic acid, 5-[(4-amino-4-carboxy-1-oxobutyl)amino]-2-nitro-, (S)-
  • 5-[[(4S)-4-Amino-4-carboxy-1-oxobutyl]amino]-2-nitrobenzoic acid
  • L-γ-Glutamyl-3-carboxy-4-nitroanilide
  • (S)-5-[(4-Amino-4-carboxy-1-oxobutyl)amino]-2-nitrobenzoic acid

Deleted or Replaced CAS Registry Numbers

59865-04-2, 88373-00-6

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