N~2~-[(2S)-2-Amino-2-Phenylacetyl]-N-{(2S,3S)-4-[(4R)-4-{[(2R)-3,3-Dimethyl-2-Butanyl]Carbamoyl}-5,5-Dimethyl-1,3-Thiazolidin-3-Yl]-3-Hydroxy-4-Oxo-1-Phenyl-2-Butanyl}-3-Methyl-L-Valinamide

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Properties Simple | Detailed

Formula C36H53N5O5S
IUPAC Name (4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1r)-1,2,2-trimethylpropyl]thiazolidine-4-carboxamide
Molecular Mass 667.902 g·mol−1
Heat of Formation -1021.6 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 868.54 Å 3
Surface Area 583.62 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
InChIKey RPTQNDJJLCIOJR-OBXVIOLMSA-N
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