(2S)-({N-[(2R,3S,9S)-9-Cyclohexyl-3,6-Bis(Cyclopropylmethyl)-2-Hydroxy-14-Methyl-5,8,11-Trioxo-12-Oxa-4,6,7,10-Tetraazapentadecan-1-Oyl]Glycyl}Amino)(Phenyl)Acetic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C35H52N6O9
IUPAC Name (2s)-2-[[2-[[(2r,3s)-3-[[[[(2s)-2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]amino]-(cyclopropylmethyl)carbamoyl]amino]-4-cyclopropyl-2-hydroxy-butanoyl]amino]acetyl]amino]-2-phenyl-acetic acid
Molecular Mass 700.822 g·mol−1
Heat of Formation -1546.4 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 874.79 Å 3
Surface Area 638.27 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
InChIKey PLFWZBVXDUFZCY-ZVVXMFRTSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N