(2R)-N-Allyl-2-[(3S,13S,16As,17Ar,17Bs)-13-({[(2S)-1-(4,4-Dimethyl-2,6-Dioxo-1-Piperidinyl)-3,3-Dimethyl-2-Butanyl]Carbamoyl}Amino)-17,17-Dimethyl-1,14-Dioxooctadecahydro-2H-Cyclopropa[3,4]Pyrrolo[1,2-A][1,4]Diazacyclohexadecin-3-Yl]-2-Hydroxyacetamide

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Formula C39H64N6O7
IUPAC Name (2r)-n-allyl-2-[(3s,13s,16as,17ar,17bs)-13-({[(2s)-1-(4,4-dimethyl-2,6-dioxo-1-piperidinyl)-3,3-dimethyl-2-butanyl]carbamoyl}amino)-17,17-dimethyl-1,14-dioxooctadecahydro-2h-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl]-2-hydroxyacetamide
Molecular Mass 728.961 g·mol−1
Heat of Formation -1601.8 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 939.6 Å 3
Surface Area 626.36 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 3.19 ± eV
Point Group Symmetry C1
InChIKey OCBUWZICDFQHBN-MHXQYHMZSA-N
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