Formula |
C21H27N3O3S2 |
IUPAC Name |
(2s)-2-[[4-[[(2r)-2-azaniumyl-3-sulfanyl-propyl]amino]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate |
Molecular Mass |
433.587 g·mol−1 |
Heat of Formation |
-119.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
41.05 ± 1.08 D |
Volume |
521.64 Å 3 |
Surface Area |
419.18 Å 2 |
HOMO Energy |
-7.04 ± 0.55 eV |
LUMO Energy |
-2.84 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (2s)-2-[[4-[[(2r)-2-amino-3-mercapto-propyl]amino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid
- (2s)-2-[[4-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid
- (2s)-2-[[4-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid
- (2s)-2-[[4-[[(2r)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid
- (2s)-2-[[[4-[[(2r)-2-amino-3-mercaptopropyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid
|
InChIKey |
ZIXDDEATQSBHHL-BEFAXECRSA-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
|
|
|