(2S)-N-[(2R,5S,6S)-5-(D-Alanylamino)-1-(2-Aminophenyl)-2-Formyl-6-Methyl-1,4-Dioxo-3-Phenyl-7-Octen-2-Yl]-N-Methyl-2-Pyrrolidinecarboxamide
Properties
Property | Value |
---|---|
Formula | C31H39N5O5 |
IUPAC Name | (2s)-n-[(1r,2r,4s,5s)-1-formyl-1-(2-λ1-azanylbenzene-3,4,5,6-tetraide-1-carbonyl)-4-[[(2r)-2-λ1-azanylpropanoyl]amino]-5-methyl-3-oxo-2-phenyl-hept-6-enyl]-n-methyl-pyrrolidine-2-carboxamide |
Molecular Mass | 561.672 g·mol−1 |
Heat of Formation | -610.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.81 ± 1.08 D |
Volume | 685.42 Å 3 |
Surface Area | 469.45 Å 2 |
HOMO Energy | -8.54 ± 0.55 eV |
LUMO Energy | 0.02 ± eV |
Point Group Symmetry | C1 |
InChIKey | RRKPZYIKFBDXNY-MJIZVHQCSA-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 |