(4R,7S,10S,16S,19R)-19-Amino-7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-13-[(2S)-2-Butanyl]-16-(4-Hydroxybenzyl)-6,9,12,15,18-Pentaoxo-1,2-Dithia-5,8,11,14,17-Pentaazacycloicosane-4-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C30H44N8O10S2 |
| IUPAC Name | (4r,7s,10s,13r,16s,19r)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1s)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxylic acid |
| Molecular Mass | 740.848 g·mol−1 |
| Heat of Formation | -1889.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.22 ± 1.08 D |
| Volume | 873.1 Å 3 |
| Surface Area | 644.83 Å 2 |
| HOMO Energy | -8.49 ± 0.55 eV |
| LUMO Energy | -0.55 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ITRWUGOBSKHPTA-SGOWXEJDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |