N~2~-{[(1S)-6-Methoxy-3-Oxo-2,3-Dihydro-1H-Inden-1-Yl]Acetyl}-N-{(2S)-1-[(4-Methylbenzyl)Amino]-1-Oxo-4-Phenyl-2-Butanyl}-L-Threoninamide

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Properties Simple | Detailed

Formula C34H39N3O6
IUPAC Name (2s,3r)-3-hydroxy-2-[[2-[(1s)-6-methoxy-3-oxo-indan-1-yl]acetyl]amino]-n-[(1s)-3-phenyl-1-(p-tolylmethylcarbamoyl)propyl]butanamide
Molecular Mass 585.690 g·mol−1
Heat of Formation -911.6 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 731.38 Å 3
Surface Area 614.82 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
InChIKey XTNVDVZDMWYKHD-TWQSKLGKSA-N
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