(2S,3S)-3-({(2S)-1-[(4-Carbamimidamidobutyl)Amino]-4-Methyl-1-Oxo-2-Pentanyl}Carbamoyl)-2-Oxiranecarboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C15H27N5O5
IUPAC Name (2s,3s)-3-[[(1s)-1-(4-guanidinobutylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid
Molecular Mass 357.405 g·mol−1
Heat of Formation -817.5 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 461.35 Å 3
Surface Area 396.28 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-3-(n-{(s)-1-[n-(4-guanidinobutyl)carbamoyl]3-methylbutyl}carbamoyl)oxirane-2-carboxylic acid
  • (2s,3s)-3-[((1s)-1-{[4-(carbamimidamido)butyl]carbamoyl}-3-methylbutyl)carbamoyl]oxirane-2-carboxylic acid
  • (2s,3s)-3-[[(1s)-1-(4-guanidinobutylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid
  • (2s,3s)-3-[[(2s)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxo-pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
  • (2s,3s)-3-[[(2s)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
  • (2s,3s)-3-[[[(1s)-1-[(4-guanidinobutylamino)-oxomethyl]-3-methylbutyl]amino]-oxomethyl]-2-oxiranecarboxylic acid
  • e 64
  • e 64 (proteinase inhibitor)
  • oxiranecarboxylic acid, 3-(((1-(((4-((aminoiminomethyl)amino)butyl)amino)carbonyl)-3-methylbutyl)amino)carbonyl)-, (2s-(2-alpha,3-beta(r*)))-
  • oxiranecarboxylic acid, 3-(((1-(((4-((aminoiminomethyl)amino)butyl)amino)carbonyl)-3-methylbutyl)amino)carbonyl)-, (2s-(2alpha,3beta(r*)))-
  • proteinase inhibitor e 64
  • thiol protease inhibitor
InChIKey LTLYEAJONXGNFG-DCAQKATOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N