(1S,7S)-7-Amino-N-[(2S,3S)-7-Amino-1-(Cyclohexylamino)-2-Hydroxy-1-Oxo-3-Heptanyl]-7-Benzyl-8-Oxohexahydro-1H-Pyrazolo[1,2-A]Pyridazine-1-Carboxamide

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Properties Simple | Detailed

Formula C28H44N6O4
IUPAC Name (3s,6s,9r)-6-amino-n-[(1s)-5-amino-1-[(1s)-2-(cyclohexylamino)-1-hydroxy-2-oxo-ethyl]pentyl]-6-benzyl-5-oxo-2,3,7,8-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-3-carboxamide
Molecular Mass 528.687 g·mol−1
Heat of Formation -726.9 ± 16.7 kJ·mol−1
Dipole Moment 8.17 ± 1.08 D
Volume 664.4 Å 3
Surface Area 498.1 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,7s)-7-amino-n-[(1s)-5-amino-1-[(1s)-2-(cyclohexylamino)-1-hydroxy-2-keto-ethyl]pentyl]-7-(benzyl)-8-keto-2,3,5,6-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
  • (1s,7s)-7-amino-n-[(1s)-5-amino-1-[(1s)-2-(cyclohexylamino)-1-hydroxy-2-oxo-ethyl]pentyl]-8-oxo-7-(phenylmethyl)-2,3,5,6-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
  • (1s,7s)-7-amino-n-[(1s)-5-amino-1-[(1s)-2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pentyl]-8-oxo-7-(phenylmethyl)-2,3,5,6-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
  • (1s,7s)-7-amino-n-[(2s,3s)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxo-heptan-3-yl]-8-oxo-7-(phenylmethyl)-2,3,5,6-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
  • (1s,7s)-7-amino-n-[(2s,3s)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-8-oxo-7-(phenylmethyl)-2,3,5,6-tetrahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
  • rng-bcy-lys-oho
InChIKey FYDHYBJQXIEOSE-HXFQDRMMSA-N
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