N-Acetyl-3-Methyl-L-Valyl-3-Methyl-L-Valyl-(4R)-4-Hydroxy-N-[4-(4-Methyl-1,3-Thiazol-5-Yl)Benzyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C30H43N5O5S
IUPAC Name (2s,4r)-1-[(2s)-2-[[(2s)-2-acetamido-3,3-dimethyl-butanoyl]amino]-3,3-dimethyl-butanoyl]-4-hydroxy-n-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular Mass 585.758 g·mol−1
Heat of Formation -982.0 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 726.75 Å 3
Surface Area 558.66 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
InChIKey BSMNRBWKVZRMBK-PEISPCAHSA-N
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