Formula |
C21H27N5O5S |
IUPAC Name |
(2r)-2-(benzylsulfonylamino)-n-[(1s)-2-[(4-carbamimidoylphenyl)methylamino]-1-methyl-2-oxo-ethyl]-3-hydroxy-propanamide |
Molecular Mass |
461.535 g·mol−1 |
Heat of Formation |
-660.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.66 ± 1.08 D |
Volume |
546.08 Å 3 |
Surface Area |
475.06 Å 2 |
HOMO Energy |
-9.76 ± 0.55 eV |
LUMO Energy |
2.46 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2r)-n-[(1s)-2-[(4-amidinobenzyl)amino]-2-keto-1-methyl-ethyl]-2-(benzylsulfonylamino)-3-hydroxy-propionamide
- (2r)-n-[(1s)-2-[(4-carbamimidoylphenyl)methylamino]-1-methyl-2-oxo-ethyl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
- (2r)-n-[(1s)-2-[(4-carbamimidoylphenyl)methylamino]-1-methyl-2-oxoethyl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
- (2r)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxo-propan-2-yl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
- (2r)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
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InChIKey |
QJNHUFOFEMCMGR-KBXCAEBGSA-N |
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Elements |
H
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