[(4S,7S,13S,16R)-16-Acetamido-4-Carbamoyl-13-{3-[(Diaminomethylene)Amino]Propyl}-3,3,14-Trimethyl-6,9,12,15-Tetraoxo-1,2-Dithia-5,8,11,14-Tetraazacycloheptadecan-7-Yl]Acetic Acid
Properties
| Property | Value |
|---|---|
| Formula | C23H39N9O8S2 |
| IUPAC Name | 2-[(4s,7r,13r,16r)-16-acetamido-4-carbamoyl-13-(3-guanidinopropyl)-3,3,14-trimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadec-7-yl]acetic acid |
| Molecular Mass | 633.741 g·mol−1 |
| Heat of Formation | -1560.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.94 ± 1.08 D |
| Volume | 734.01 Å 3 |
| Surface Area | 546.35 Å 2 |
| HOMO Energy | -8.65 ± 0.55 eV |
| LUMO Energy | -0.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MWLMZCNGBAIZSG-OEUWWYETSA-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 |