Formula |
C20H20N2O3S |
IUPAC Name |
(2s)-2-amino-3-benzylsulfanyl-n-(4-methyl-2-oxo-chromen-7-yl)propanamide |
Molecular Mass |
368.449 g·mol−1 |
Heat of Formation |
-302.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.86 ± 1.08 D |
Volume |
433.66 Å 3 |
Surface Area |
352.53 Å 2 |
HOMO Energy |
-8.88 ± 0.55 eV |
LUMO Energy |
-0.94 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-amino-3-(benzylthio)-n-(2-keto-4-methyl-chromen-7-yl)propionamide
- (2s)-2-amino-n-(4-methyl-2-oxo-7-chromenyl)-3-(phenylmethylthio)propanamide
- (2s)-2-amino-n-(4-methyl-2-oxo-chromen-7-yl)-3-(phenylmethylsulfanyl)propanamide
- (2s)-2-amino-n-(4-methyl-2-oxochromen-7-yl)-3-(phenylmethylsulfanyl)propanamide
- 7-benzylcysteinyl-4-methylcoumarinylamide
- bcmca
- propanamide, 2-amino-n-(4-methyl-2-oxo-2h-1-benzopyran-7-yl)-3-((phenylmethyl)thio)-, (s)-
- s-benzyl-l-cysteine-4-methylcoumarinyl-7-amide
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CAS Number(s) |
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InChIKey |
WSBODWFAIQZWSU-QGZVFWFLSA-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
O
N
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