Nalpha-{[(4-Chlorophenyl)Sulfanyl]Acetyl}-4-[(Diaminomethylene)Amino]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C18H20ClN5O2S
IUPAC Name (2s)-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-(4-guanidinophenyl)propanamide
Molecular Mass 405.902 g·mol−1
Heat of Formation -135.1 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 471.18 Å 3
Surface Area 411.35 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-[4-(diaminomethylideneamino)phenyl]propanamide
  • (2s)-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-(4-guanidinophenyl)propanamide
  • (2s)-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanamide
  • (2s)-2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-3-(4-guanidinophenyl)propanamide
  • (2s)-2-[[2-[(4-chlorophenyl)thio]acetyl]amino]-3-(4-guanidinophenyl)propionamide
  • 4cp
InChIKey IEEYGOJDTRVYGR-HNNXBMFYSA-N
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