Methyl 2-(N-{[5-Amino-2-(3-Methoxyphenyl)-6-Oxo-1(6H)-Pyrimidinyl]Acetyl}-L-Phenylalanyl)-1,3-Benzoxazole-5-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C31H27N5O7
IUPAC Name methyl 2-[(2s)-2-[[2-[5-amino-2-(3-methoxyphenyl)-6-oxo-pyrimidin-1-yl]acetyl]amino]-3-phenyl-propanoyl]-1,3-benzoxazole-5-carboxylate
Molecular Mass 581.575 g·mol−1
Heat of Formation -581.2 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 665.68 Å 3
Surface Area 532.54 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 1.49 ± eV
Point Group Symmetry C1
InChIKey JBVRJKUPBUZDDJ-DEOSSOPVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N