Methyl [(2S)-1-{2-[(4R)-4-Benzyl-5-{[(2S)-3,3-Dimethyl-1-(Methylamino)-1-Oxo-2-Butanyl]Amino}-4-Hydroxy-5-Oxopentyl]-2-[4-(3-Thienyl)Benzyl]Hydrazino}-3,3-Dimethyl-1-Oxo-2-Butanyl]Carbamate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C38H53N5O6S
IUPAC Name methyl n-[(1s)-1-[[[(4r)-4-benzyl-5-[[(1s)-2,2-dimethyl-1-(methylcarbamoyl)propyl]amino]-4-hydroxy-5-oxo-pentyl]-[[4-(3-thienyl)phenyl]methyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate
Molecular Mass 707.922 g·mol−1
Heat of Formation -1047.9 ± 16.7 kJ·mol−1
Dipole Moment 7.15 ± 1.08 D
Volume 892.99 Å 3
Surface Area 617.35 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey XNAIGGHDLWCRFU-SQQFMCCZSA-N
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