N-{2-[2-(2-Amino-2-Oxoethoxy)Ethoxy]Ethyl}-Nalpha-{[(4-Chlorophenyl)Sulfanyl]Acetyl}-4-[(Diaminomethylene)Amino]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C24H31ClN6O5S
IUPAC Name (2s)-n-[2-[2-(2-amino-2-oxo-ethoxy)ethoxy]ethyl]-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-(4-guanidinophenyl)propanamide
Molecular Mass 551.058 g·mol−1
Heat of Formation -689.4 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 645.35 Å 3
Surface Area 530.23 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[2-[2-(2-amino-2-keto-ethoxy)ethoxy]ethyl]-2-[[2-[(4-chlorophenyl)thio]acetyl]amino]-3-(4-guanidinophenyl)propionamide
  • (2s)-n-[2-[2-(2-amino-2-oxo-ethoxy)ethoxy]ethyl]-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-[4-(diaminomethylideneamino)phenyl]propanamide
  • (2s)-n-[2-[2-(2-amino-2-oxo-ethoxy)ethoxy]ethyl]-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-(4-guanidinophenyl)propanamide
  • (2s)-n-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethyl]-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanamide
  • (2s)-n-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethyl]-2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-3-(4-guanidinophenyl)propanamide
  • 2ce
InChIKey SUVIJSGBAJVXMV-FQEVSTJZSA-N
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