N-(Benzylsulfonyl)-D-Seryl-N-{4-[(Diaminomethylene)Amino]Benzyl}-L-Alaninamide

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Properties Simple | Detailed

Formula C21H28N6O5S
IUPAC Name (2r)-2-(benzylsulfonylamino)-n-[(1s)-2-[(4-guanidinophenyl)methylamino]-1-methyl-2-oxo-ethyl]-3-hydroxy-propanamide
Molecular Mass 476.549 g·mol−1
Heat of Formation -643.9 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 559.51 Å 3
Surface Area 489.98 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(benzylsulfonylamino)-n-[(1s)-2-[(4-guanidinobenzyl)amino]-2-keto-1-methyl-ethyl]-3-hydroxy-propionamide
  • (2r)-n-[(1s)-2-[(4-guanidinophenyl)methylamino]-1-methyl-2-oxo-ethyl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
  • (2r)-n-[(1s)-2-[(4-guanidinophenyl)methylamino]-1-methyl-2-oxoethyl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
  • (2r)-n-[(2s)-1-[[4-(diaminomethylideneamino)phenyl]methylamino]-1-oxo-propan-2-yl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
  • (2r)-n-[(2s)-1-[[4-(diaminomethylideneamino)phenyl]methylamino]-1-oxopropan-2-yl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide
InChIKey GIFIGLJPDYSYDF-KBXCAEBGSA-N
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