N-[(2S)-1-{[(2S)-5-Carbamimidamido-1-Oxo-1-(1,3-Thiazol-2-Yl)Pentan-2-Yl]Amino}-3-Methyl-1-Oxobutan-2-Yl]-2-(3-Chlorophenyl)-2-Oxoacetamide

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Properties Simple | Detailed

Formula C22H27ClN6O4S
IUPAC Name (2s)-2-[[2-(3-chlorophenyl)-2-oxo-acetyl]amino]-n-[(1s)-4-guanidino-1-(thiazole-2-carbonyl)butyl]-3-methyl-butanamide
Molecular Mass 507.006 g·mol−1
Heat of Formation -414.3 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 592.92 Å 3
Surface Area 507.26 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 1.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[2-(3-chlorophenyl)-1,2-dioxoethyl]amino]-n-[(1s)-4-guanidino-1-[oxo-(2-thiazolyl)methyl]butyl]-3-methylbutanamide
  • (2s)-2-[[2-(3-chlorophenyl)-2-keto-acetyl]amino]-n-[(1s)-4-guanidino-1-(thiazole-2-carbonyl)butyl]-3-methyl-butyramide
  • (2s)-2-[[2-(3-chlorophenyl)-2-oxo-acetyl]amino]-n-[(1s)-4-guanidino-1-(thiazole-2-carbonyl)butyl]-3-methyl-butanamide
  • (2s)-2-[[2-(3-chlorophenyl)-2-oxo-ethanoyl]amino]-n-[(2s)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-3-methyl-butanamide
  • (2s)-2-[[2-(3-chlorophenyl)-2-oxoacetyl]amino]-n-[(2s)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-3-methylbutanamide
  • 2-[2-(3-chloro-phenyl)-2-hydroxy-acetylamino]-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide
InChIKey NZMZDRVEUJTADA-HOTGVXAUSA-N
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