(3S,6S,7S,9As,3'S,6'S,7'S,9A'S)-N,N'-(1,4-Phenylenebis{4,1-Butanediyl-1H-1,2,3-Triazole-1,4-Diyl[(S)-Phenylmethylene]})Bis[7-(Hydroxymethyl)-6-{[(2S)-2-(Methylamino)Butanoyl]Amino}-5-Oxooctahydro-1H-Pyrrolo[1,2-A]Azepine-3-Carboxamide]
Properties
| Property | Value |
|---|---|
| Formula | C64H88N14O8 |
| IUPAC Name | (3s,6s,7s,9as)-n-[(s)-[1-[4-[4-[4-[4-[(s)-[[(3s,6s,7s,9as)-7-(hydroxymethyl)-6-[[(2s)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carbonyl]amino]-phenylmethyl]triazol-1-yl]butyl]phenyl]butyl]triazol-4-yl]-phenylmethyl]-7-(hydroxymethyl)-6-[[(2s)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide |
| Molecular Mass | 1181.473 g·mol−1 |
| Heat of Formation | -996.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.22 ± 1.08 D |
| Volume | 1468.99 Å 3 |
| Surface Area | 1062.7 Å 2 |
| HOMO Energy | -9.37 ± 0.55 eV |
| LUMO Energy | 0.10 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XKEIDWZKJDOBEL-OKDMWEIPSA-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 |