(2S)-2-[(2S,3R)-10-{[(4-Fluorophenyl)Sulfonyl]Amino}-3-Methyl-2-[(Methyl{[4-(Trifluoromethyl)Phenyl]Carbamoyl}Amino)Methyl]-6-Oxo-3,4-Dihydro-2H-1,5-Benzoxazocin-5(6H)-Yl]Propanoic Acid

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Properties Simple | Detailed

Formula C30H30F4N4O7S
IUPAC Name (2s)-2-[(2s,3r)-10-[(4-fluorophenyl)sulfonylamino]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-5-yl]propanoic acid
Molecular Mass 666.640 g·mol−1
Heat of Formation -1854.8 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 715.81 Å 3
Surface Area 545.0 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
InChIKey XAEPMFMCFFIZDH-FUMQJTLXSA-N
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