N~2~-Acetyl-N-[(2S,3R)-4-{(1,3-Benzothiazol-6-Ylsulfonyl)[(2S)-2-Methylbutyl]Amino}-3-Hydroxy-1-Phenyl-2-Butanyl]Isoleucinamide
Properties
Property | Value |
---|---|
Formula | C30H42N4O5S2 |
IUPAC Name | (2s,3s)-2-acetamido-n-[(1s,2r)-3-[1,3-benzothiazol-6-ylsulfonyl-[(2s)-2-methylbutyl]amino]-1-benzyl-2-hydroxy-propyl]-3-methyl-pentanamide |
Molecular Mass | 602.808 g·mol−1 |
Heat of Formation | -869.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.51 ± 1.08 D |
Volume | 735.3 Å 3 |
Surface Area | 506.55 Å 2 |
HOMO Energy | -9.11 ± 0.55 eV |
LUMO Energy | -1.10 ± eV |
Point Group Symmetry | C1 |
InChIKey | OVZSMGMZKQWSSF-IFFHWBOBSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |