Formula |
C24H31N3O4S |
IUPAC Name |
methyl (2s)-3-methyl-2-[[2-[[(2r)-2-[(4-phenylphenyl)methylamino]-3-sulfanyl-propanoyl]amino]acetyl]amino]butanoate |
Molecular Mass |
457.586 g·mol−1 |
Heat of Formation |
-580.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.84 ± 1.08 D |
Volume |
568.27 Å 3 |
Surface Area |
500.94 Å 2 |
HOMO Energy |
-8.75 ± 0.55 eV |
LUMO Energy |
-0.10 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 2-(2-{2-[(biphenyl-4-ylmethyl)-amino]-3-mercapto-pentanoylamino}-acetylamino)-3-methyl-butyric acid methyl ester
- tr1
|
InChIKey |
QFAWBPLETHINFK-UNMCSNQZSA-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
|
|
|