N-[(3-Methyl-1H-Inden-2-Yl)Carbonyl]-D-Alanyl-N-[(2S,4R)-1-Cyclohexyl-5-Hydroxy-4-Methyl-3-Oxo-2-Pentanyl]-L-Tryptophanamide

Molecule SVG Image

Properties Simple | Detailed

Formula C37H46N4O5
IUPAC Name n-[(1r)-2-[[(1s)-2-[[(1s,3r)-1-(cyclohexylmethyl)-4-hydroxy-3-methyl-2-oxo-butyl]amino]-1-(indol-1-ium-3-ylmethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-3-methyl-1h-indene-2-carboxamide
Molecular Mass 626.785 g·mol−1
Heat of Formation -873.1 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 777.24 Å 3
Surface Area 544.39 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
InChIKey WFCYBAJFPAJLJW-BVZMXYCPSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N