S-Benzyl-N-(4-Methyl-2-Oxo-2H-Chromen-7-Yl)-D-Cysteinamide

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Properties Simple | Detailed

Formula C20H21N2O3S+
IUPAC Name (2s)-2-amino-3-benzylsulfanyl-n-(4-methyl-2-oxo-chromen-7-yl)propanamide
Molecular Mass 369.457 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
Synonyms
  • (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
CAS Number(s)
  • 80173-27-9
InChIKey WSBODWFAIQZWSU-QGZVFWFLSA-N
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