(2E)-N-{(2S)-1-[(R)-(4-Hydroxyphenyl)Sulfinyl]-2-Propanyl}-3-(6-Methyl-2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl)Acrylamide

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Properties Simple | Detailed

Formula C17H19N3O5S
IUPAC Name (e)-n-[(1s)-2-[(r)-(4-hydroxyphenyl)sulfinyl]-1-methyl-ethyl]-3-(6-methyl-2,4-dioxo-1h-pyrimidin-5-yl)prop-2-enamide
Molecular Mass 377.415 g·mol−1
Heat of Formation -695.8 ± 16.7 kJ·mol−1
Dipole Moment 6.05 ± 1.08 D
Volume 435.07 Å 3
Surface Area 391.06 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(2,4-diketo-6-methyl-1h-pyrimidin-5-yl)-n-[(1s)-2-[(r)-(4-hydroxyphenyl)sulfinyl]-1-methyl-ethyl]acrylamide
  • (e)-n-[(1s)-2-[(r)-(4-hydroxyphenyl)sulfinyl]-1-methyl-ethyl]-3-(4-methyl-2,6-dioxo-3h-pyrimidin-5-yl)prop-2-enamide
  • (e)-n-[(1s)-2-[(r)-(4-hydroxyphenyl)sulfinyl]-1-methylethyl]-3-(4-methyl-2,6-dioxo-3h-pyrimidin-5-yl)prop-2-enamide
  • ph-ala-sp
  • phenol-alanine sparsomycin
CAS Number(s)
  • 132337-89-4
InChIKey GTCPMRXZNYLTKA-DNDSYUBISA-N
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