Chem
J-GLOBAL ID：200907083491503265   Nikkaji number：J2.463.795F

Manzacidin B

マンザシジンB
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： C12H14BrN3O5
Molecular formula furigana： C12-H14-BR-N3-O5
Molecular weight： 360.164
InChI： InChI=1S/C12H14BrN3O5/c1-12(9(17)8(10(18)19)15-5-16-12)4-21-11(20)7-2-6(13)3-14-7/h2-3,5,8-9,14,17H,4H2,1H3,(H,15,16)(H,18,19)/t8-,9-,12+/m0/s1
InChI key： RMRGGLUETWXFCH-HOTUBEGUSA-N
SMILES： C[C@]1(COC(=O)c2cc(Br)c[nH]2)NC=N[C@@H]([C@@H]1O)C(=O)O
Systematic name  (3)：
  • (4S)-5α-ヒドロキシ-6α-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-4α-カルボン酸
  • (4S,5S,6R)-6-[(4-ブロモ-1H-ピロール-2-カルボニルオキシ)メチル]-5-ヒドロキシ-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
  • (4S,5S,6R)-6-[(4-bromo-1H-pyrrole-2-carbonyloxy)methyl]-5-hydroxy-6-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
Other name (3)：
  • (4S)-5α-Hydroxy-6α-methyl-6-(4-bromo-1H-pyrrole-2-ylcarbonyloxymethyl)-1,4,5,6-tetrahydropyrimidine-4α-carboxylic acid
  • マンザシジンB
  • Manzacidin B
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