4-Nitrobenzyl {(3S)-1-Chloro-6-[(Diaminomethylene)Amino]-2-Oxo-3-Hexanyl}Carbamate

Molecule SVG Image

Properties Simple | Detailed

Formula C15H20ClN5O5
IUPAC Name (4-nitrophenyl)methyl n-[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]carbamate
Molecular Mass 385.803 g·mol−1
Heat of Formation -484.2 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 441.27 Å 3
Surface Area 379.34 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
Synonyms
  • (4-nitrophenyl)methyl n-[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]carbamate
  • (4-nitrophenyl)methyl n-[(3s)-1-chloro-6-(diaminomethylideneamino)-2-oxo-hexan-3-yl]carbamate
  • (4-nitrophenyl)methyl n-[(3s)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]carbamate
  • alpha-nitrobenzyloxycarbonyl-arg-chloromethyl ketone
  • carbamic acid, (4-((aminoiminomethyl)amino)-1-(chloroacetyl)butyl)-, (4-nitrophenyl)methyl ester, (s)-
  • n-[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]carbamic acid (4-nitrobenzyl) ester
CAS Number(s)
  • 52795-16-1
InChIKey ASAMTKJVTQVMRZ-LBPRGKRZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl