(1S,7S)-7-Amino-7-Benzyl-N-{(2S,3S)-6-[(Diaminomethylene)Amino]-2-Hydroxy-1-Oxo-1-[(2-Phenylethyl)Amino]-3-Hexanyl}-8-Oxohexahydro-1H-Pyrazolo[1,2-A]Pyridazine-1-Carboxamide

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Properties Simple | Detailed

Formula C30H42N8O4
IUPAC Name (3s,6s,9s)-6-amino-6-benzyl-n-[(1s)-4-guanidino-1-[(1s)-1-hydroxy-2-oxo-2-(2-phenylethylamino)ethyl]butyl]-5-oxo-2,3,7,8-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-3-carboxamide
Molecular Mass 578.706 g·mol−1
Heat of Formation -469.5 ± 16.7 kJ·mol−1
Dipole Moment 7.56 ± 1.08 D
Volume 716.85 Å 3
Surface Area 553.53 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,7s)-7-amino-7-(benzyl)-n-[(1s)-4-guanidino-1-[(1s)-1-hydroxy-2-keto-2-(2-phenylethylamino)ethyl]butyl]-8-keto-2,3,5,6-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
  • (1s,7s)-7-amino-n-[(1s)-4-guanidino-1-[(1s)-1-hydroxy-2-oxo-2-(2-phenylethylamino)ethyl]butyl]-8-oxo-7-(phenylmethyl)-2,3,5,6-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
  • (1s,7s)-7-amino-n-[(2s,3s)-6-(diaminomethylideneamino)-2-hydroxy-1-oxo-1-(2-phenylethylamino)hexan-3-yl]-8-oxo-7-(phenylmethyl)-2,3,5,6-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
  • bic-arg-eoa
InChIKey BCHJOEWNJFXZEK-DNHJLFCISA-N
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