Oxiranecarboxylic acid, 3-[[[(1S)-2-[[4-[(aminoiminomethyl)amino]butyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-

CAS Registry Number®

106455-06-5

CAS Name

Oxiranecarboxylic acid, 3-[[[(1S)-2-[[4-[(aminoiminomethyl)amino]butyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-

Molecular Formula

C18H25N5O5

Molecular Mass

391.42

Cite this Page

Oxiranecarboxylic acid, 3-[[[(1S)-2-[[4-[(aminoiminomethyl)amino]butyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=106455-06-5 (retrieved 2024-12-23) (CAS RN: 106455-06-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H25N5O5/c19-18(20)22-9-5-4-8-21-15(24)12(10-11-6-2-1-3-7-11)23-16(25)13-14(28-13)17(26)27/h1-3,6-7,12-14H,4-5,8-10H2,(H,21,24)(H,23,25)(H,26,27)(H4,19,20,22)/t12-,13?,14?/m0/s1

InChIKey

InChIKey=CDANUSUTFSNLOG-HSBZDZAISA-N

SMILES

C(N[C@@H](CC1=CC=CC=C1)C(NCCCCNC(=N)N)=O)(=O)C2C(C(O)=O)O2

Canonical SMILES

O=C(O)C1OC1C(=O)NC(C(=O)NCCCCNC(=N)N)CC=2C=CC=CC2

Other Names for this Substance

  • Oxiranecarboxylic acid, 3-[[[(1S)-2-[[4-[(aminoiminomethyl)amino]butyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-
  • Oxiranecarboxylic acid, 3-[[[2-[[4-[(aminoiminomethyl)amino]butyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-
  • Estatin A