(2S)-2-({(2R)-3-(4-Biphenylyl)-2-[(3,5-Dimethylbenzoyl)(Methyl)Amino]Propanoyl}Amino)-3-(1H-Indol-3-Yl)Propanoic Acid

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Properties Simple | Detailed

Formula C36H35N3O4
IUPAC Name (2r)-2-[[(2s)-2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(2h-indol-1-ium-2-ylium-3-yl)propanoic acid
Molecular Mass 573.681 g·mol−1
Heat of Formation -409.5 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 702.23 Å 3
Surface Area 521.3 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey UZDORQWMYRRLQV-SAIUNTKASA-N
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