Formula |
C22H24N2O4S |
IUPAC Name |
(2s,5r)-5-phenyl-1-[2-[[(2s)-3-phenyl-2-sulfanyl-propanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid |
Molecular Mass |
412.502 g·mol−1 |
Heat of Formation |
-562.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.48 ± 1.08 D |
Volume |
492.0 Å 3 |
Surface Area |
413.21 Å 2 |
HOMO Energy |
-8.90 ± 0.55 eV |
LUMO Energy |
-0.35 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- (2s,5r)-1-[2-[[(2s)-2-mercapto-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylic acid
- (2s,5r)-1-[2-[[(2s)-2-mercapto-3-phenyl-propanoyl]amino]acetyl]-5-phenyl-proline
- (2s,5r)-5-phenyl-1-[2-[[(2s)-3-phenyl-2-sulfanyl-propanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
- (2s,5r)-5-phenyl-1-[2-[[(2s)-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid
- (2s,5r)-5-phenyl-1-[2-[[(2s)-3-phenyl-2-sulfanylpropanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
- [(2s)-2-sulfanyl-3-phenylpropanoyl]-gly-(5-phenylproline)
- rb106
- ti3
|
InChIKey |
ZWDQTNWLXALTOV-QYZOEREBSA-N |
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Links |
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Elements |
H
S
C
O
N
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