N-Acetyl-S-[(1-Hydroxy-3,6-Dimethoxy-5,8-Dioxo-5,8-Dihydro-2-Naphthalenyl)Methyl]-L-Cysteine

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Properties Simple | Detailed

Formula C18H19NO8S
IUPAC Name (2r)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthyl)methylsulfanyl]propanoic acid
Molecular Mass 409.410 g·mol−1
Heat of Formation -1193.5 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 443.55 Å 3
Surface Area 376.31 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.74 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthyl)methylsulfanyl]propanoic acid
  • (2r)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthyl)methylthio]propanoic acid
  • (2r)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-5,8-dioxo-naphthalen-2-yl)methylsulfanyl]propanoic acid
  • (2r)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)methylsulfanyl]propanoic acid
  • (2r)-2-acetamido-3-[(1-hydroxy-5,8-diketo-3,6-dimethoxy-2-naphthyl)methylthio]propionic acid
  • fibrostatin c
  • l-cysteine, n-acetyl-s-((5,8-dihydro-1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphtha
  • l-cysteine, n-acetyl-s-((5,8-dihydro-1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl)methyl)-
  • n-acetyl-s-((5,8-dihydro-1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl)methyl)-l-cysteine
CAS Number(s)
  • 91776-47-5
InChIKey PBMJDDQAEYEYKK-NSHDSACASA-N
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