Benzyl [(9S,12S,15S)-12-(2-Amino-2-Oxoethyl)-4-Nitro-10,13-Dioxo-15-(Propylcarbamoyl)-2-Oxa-11,14-Diazatricyclo[15.2.2.1~3,7~]Docosa-1(19),3(22),4,6,17,20-Hexaen-9-Yl]Carbamate
Properties
Property | Value |
---|---|
Formula | C33H36N6O9 |
IUPAC Name | benzyl n-[(9s,12s,15s)-12-(2-amino-2-oxo-ethyl)-4-nitro-10,13-dioxo-15-(propylcarbamoyl)-2-oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-1(20),3,5,7(22),17(21),18-hexaen-9-yl]carbamate |
Molecular Mass | 660.674 g·mol−1 |
Heat of Formation | -1086.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.39 ± 1.08 D |
Volume | 761.68 Å 3 |
Surface Area | 601.04 Å 2 |
HOMO Energy | -9.73 ± 0.55 eV |
LUMO Energy | -1.07 ± eV |
Point Group Symmetry | C1 |
Synonyms |
|
InChIKey | CJHDBEMQNLQIBH-GSDHBNRESA-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 |