N-[(2S)-1-{[(2S,3R)-3-Hydroxy-1-(Isobutylamino)-1-Oxo-2-Butanyl]Amino}-3-Phenyl-2-Propanyl]-5-[Methyl(Methylsulfonyl)Amino]-N'-[(1R)-1-Phenylethyl]Isophthalamide

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Properties Simple | Detailed

Formula C35H47N5O6S
IUPAC Name n3-[(1s)-1-benzyl-2-[[(1s,2r)-2-hydroxy-1-(isobutylcarbamoyl)propyl]amino]ethyl]-5-[methyl(methylsulfonyl)amino]-n1-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
Molecular Mass 665.843 g·mol−1
Heat of Formation -972.0 ± 16.7 kJ·mol−1
Dipole Moment 6.46 ± 1.08 D
Volume 832.04 Å 3
Surface Area 626.87 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey UZFAOTIMARRSKT-TYUOOWEOSA-N
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