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
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Synonyms
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- (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
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InChIKey |
NZMZDRVEUJTADA-HOTGVXAUSA-N |
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Elements |
C
Cl
H
O
N
S
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