Chem
J-GLOBAL ID:200907049593912999   Nikkaji number:J2.161.067D

(1R,2R,3S,5R,6R)-3,5-Diphenyl-6-(benzoylamino)-7-oxo-2,3,5,6-tetrahydro-1H,7H-pyrazolo[1,2-a]pyrazole-1,2-dicarboxylic acid dimethyl ester

1,2-ジメチル (1R,2R,3S,5R,6R)-6-ベンズアミド-7-オキソ-3,5-ジフェニル-ヘキサヒドロ-[1,2]ジアゾロ[1,2-a]ピラゾール-1,2-ジカルボキシラート
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: C29H27N3O6
Molecular formula furigana: C29-H27-N3-O6
Molecular weight: 513.549
InChI: InChI=1S/C29H27N3O6/c1-37-28(35)21-23(18-12-6-3-7-13-18)31-24(19-14-8-4-9-15-19)22(27(34)32(31)25(21)29(36)38-2)30-26(33)20-16-10-5-11-17-20/h3-17,21-25H,1-2H3,(H,30,33)/t21-,22-,23-,24-,25-/m1/s1
InChI key: BPSDDEYHPHIVHC-FXEFVXDJSA-N
SMILES: COC(=O)[C@H]1[C@@H](N2N([C@@H]([C@@H](NC(=O)c3ccccc3)C2=O)c2ccccc2)[C@@H]1c1ccccc1)C(=O)OC
Systematic name  (3):
  • (1R,2R,3S,5R,6R)-3,5-ジフェニル-6-(ベンゾイルアミノ)-7-オキソ-2,3,5,6-テトラヒドロ-1H,7H-ピラゾロ[1,2-a]ピラゾール-1,2-ジカルボン酸ジメチル
  • 1,2-ジメチル (1R,2R,3S,5R,6R)-6-ベンズアミド-7-オキソ-3,5-ジフェニル-ヘキサヒドロ-[1,2]ジアゾロ[1,2-a]ピラゾール-1,2-ジカルボキシラート
  • 1,2-dimethyl (1R,2R,3S,5R,6R)-6-benzamido-7-oxo-3,5-diphenyl-hexahydro-[1,2]diazolo[1,2-a]pyrazole-1,2-dicarboxylate
Other name (1):
  • (1R,2R,3S,5R,6R)-3,5-Diphenyl-6-(benzoylamino)-7-oxo-2,3,5,6-tetrahydro-1H,7H-pyrazolo[1,2-a]pyrazole-1,2-dicarboxylic acid dimethyl ester
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