[(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 |