N-[(2R,3S)-1-Carbamimidoyl-2-Ethoxy-3-Piperidinyl]-6-Hydroxy-1-[(2R)-2-{[(2R)-2-Hydroxy-3-(4-Hydroxyphenyl)Propanoyl]Amino}-3-(4-Hydroxyphenyl)Propanoyl]Octahydro-1H-Indole-2-Carboxamide (Non-Preferred Name)
Properties
Property | Value |
---|---|
Formula | C35H48N6O8 |
IUPAC Name | (2s,3ar,6r,7ar)-n-[(2r,3s)-1-carbamimidoyl-2-ethoxy-3-piperidyl]-6-hydroxy-1-[(2r)-2-[[(2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide |
Molecular Mass | 680.791 g·mol−1 |
Heat of Formation | -1364.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.20 ± 1.08 D |
Volume | 844.86 Å 3 |
Surface Area | 604.53 Å 2 |
HOMO Energy | -8.97 ± 0.55 eV |
LUMO Energy | -0.00 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZHFMOYWZDUNUOY-CNHFCMCTSA-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 |