Chem
J-GLOBAL ID：200907053536314560   Nikkaji number：J408.598A

Manzacidin C

マンザシジンC
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H14BrN3O4
Molecular formula furigana： C12-H14-BR-N3-O4
Molecular weight： 344.165
InChI： InChI=1S/C12H14BrN3O4/c1-12(3-9(10(17)18)15-6-16-12)5-20-11(19)8-2-7(13)4-14-8/h2,4,6,9,14H,3,5H2,1H3,(H,15,16)(H,17,18)/t9-,12-/m1/s1
InChI key： GIJXHAABQHRBTG-BXKDBHETSA-N
SMILES： C[C@]1(COC(=O)c2cc(Br)c[nH]2)C[C@@H](N=CN1)C(=O)O
Systematic name  (4)：
  • (4R)-6β-メチル-1,4,5,6-テトラヒドロ-6-[[(3-ブロモ-1H-ピロール-5-イル)カルボニルオキシ]メチル]ピリミジン-4β-カルボン酸
  • (4R)-6β-メチル-6-(4-ブロモ-1H-ピロール-2-イルカルボニルオキシメチル)-1,4,5,6-テトラヒドロピリミジン-4β-カルボン酸
  • (4R,6R)-6-[(4-ブロモ-1H-ピロール-2-カルボニルオキシ)メチル]-6-メチル-1,4,5,6-テトラヒドロピリミジン-4-カルボン酸
  • (4R,6R)-6-[(4-bromo-1H-pyrrole-2-carbonyloxy)methyl]-6-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
Other name (6)：
  • マンザシジンC
  • Manzacidin C
  • (4R)-6β-Methyl-1,4,5,6-tetrahydro-6-[[(3-bromo-1H-pyrrol-5-yl)carbonyloxy]methyl]pyrimidine-4β-carboxylic acid
  • (4R)-6β-Methyl-6-(4-bromo-1H-pyrrole-2-ylcarbonyloxymethyl)-1,4,5,6-tetrahydropyrimidine-4β-carboxylic acid
  • ent-マンザシジンC
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