Formula |
C16H21NO3S |
IUPAC Name |
(2s)-1-[(2s)-3-benzylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid |
Molecular Mass |
307.408 g·mol−1 |
Heat of Formation |
-545.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.24 ± 1.08 D |
Volume |
377.59 Å 3 |
Surface Area |
291.35 Å 2 |
HOMO Energy |
-8.70 ± 0.55 eV |
LUMO Energy |
-0.12 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-1-[(2s)-2-methyl-1-oxo-3-(phenylmethylthio)propyl]-2-pyrrolidinecarboxylic acid
- (2s)-1-[(2s)-2-methyl-3-(phenylmethylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
- (2s)-1-[(2s)-3-(benzylthio)-2-methyl-propanoyl]proline
- (s)-1-(2-methyl-1-oxo-3-((phenylmethyl)thio)propyl)-l-proline
- l-proline, 1-(2-methyl-1-oxo-3-((phenylmethyl)thio)propyl)-, (s)-
- s-benzylcaptopril
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CAS Number(s) |
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InChIKey |
GOQRCCPPVPASAM-OCCSQVGLSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
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N
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