4-[[(2S)-5-[(Aminoiminomethyl)amino]-2-(benzoylamino)-1-oxopentyl]amino]benzoic acid

CAS Registry Number®

60833-82-1
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CAS Name

4-[[(2S)-5-[(Aminoiminomethyl)amino]-2-(benzoylamino)-1-oxopentyl]amino]benzoic acid

Molecular Formula

C20H23N5O4

Molecular Mass

397.43

Cite this Page

4-[[(2S)-5-[(Aminoiminomethyl)amino]-2-(benzoylamino)-1-oxopentyl]amino]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60833-82-1 (retrieved 2024-07-01) (CAS RN: 60833-82-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H23N5O4/c21-20(22)23-12-4-7-16(25-17(26)13-5-2-1-3-6-13)18(27)24-15-10-8-14(9-11-15)19(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,24,27)(H,25,26)(H,28,29)(H4,21,22,23)/t16-/m0/s1

InChIKey

InChIKey=TUZAVLAUJHUFLA-INIZCTEOSA-N

SMILES

N(C([C@@H](NC(=O)C1=CC=CC=C1)CCCNC(=N)N)=O)C2=CC=C(C(O)=O)C=C2

Canonical SMILES

O=C(O)C1=CC=C(C=C1)NC(=O)C(NC(=O)C=2C=CC=CC2)CCCNC(=N)N

Other Names for this Substance

  • Benzoic acid, 4-[[(2S)-5-[(aminoiminomethyl)amino]-2-(benzoylamino)-1-oxopentyl]amino]-
  • Benzoic acid, 4-[[5-[(aminoiminomethyl)amino]-2-(benzoylamino)-1-oxopentyl]amino]-, (S)-
  • 4-[[(2S)-5-[(Aminoiminomethyl)amino]-2-(benzoylamino)-1-oxopentyl]amino]benzoic acid