Formula |
C20H33N5O5S2 |
IUPAC Name |
(2r,3s)-n-[(1s)-1-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-3-hydroxy-2-(propylsulfonylamino)butanamide |
Molecular Mass |
487.637 g·mol−1 |
Heat of Formation |
-864.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.51 ± 1.08 D |
Volume |
581.96 Å 3 |
Surface Area |
503.99 Å 2 |
HOMO Energy |
-8.33 ± 0.55 eV |
LUMO Energy |
-0.33 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2r,3s)-n-[(1s)-1-[(4-amidinobenzyl)carbamoyl]-3-(methylthio)propyl]-3-hydroxy-2-(propylsulfonylamino)butyramide
- (2r,3s)-n-[(1s)-1-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-3-hydroxy-2-(propylsulfonylamino)butanamide
- (2r,3s)-n-[(1s)-1-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-3-(methylthio)propyl]-3-hydroxy-2-(propylsulfonylamino)butanamide
- (2r,3s)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-4-methylsulfanyl-1-oxo-butan-2-yl]-3-hydroxy-2-(propylsulfonylamino)butanamide
- (2r,3s)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-hydroxy-2-(propylsulfonylamino)butanamide
- n-[dihydroxy(propyl)-lambda~4~-sulfanyl]threonyl-n~1~-{4-[amino(imino)methyl]benzyl}methioninamide
- psm
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InChIKey |
AIIJKVORRBMJHS-RRQGHBQHSA-N |
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Links |
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DOI |
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Elements |
H
C
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O
N
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