N-(3-Hydroxy-2-Methylbenzoyl)-L-Valyl-N-[(2S)-1-[4-(Aminomethyl)Phenyl]-4-(Methylsulfonyl)-2-Butanyl]-L-Serinamide

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Formula C28H40N4O7S
IUPAC Name n-[(1s)-1-[[(1s)-2-[[(1s)-1-[[4-(aminomethyl)phenyl]methyl]-3-methylsulfonyl-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]-3-hydroxy-2-methyl-benzamide
Molecular Mass 576.705 g·mol−1
Heat of Formation -1242.6 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 705.89 Å 3
Surface Area 574.01 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
InChIKey OCEOTFNCOHQGQA-VTZPFEBOSA-N
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