Chem
J-GLOBAL ID:200907049738435540   Nikkaji number:J1.791.875C

(1S,5R)-2,4-Bis(2-pyridyl)-3-methyl-7-benzyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid dimethyl ester

(1S,5R)-2,4-ビス(2-ピリジル)-3-メチル-7-ベンジル-9-オキソ-3,7-ジアザビシクロ[3.3.1]ノナン-1,5-ジカルボン酸ジメチル
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: C29H30N4O5
Molecular formula furigana: C29-H30-N4-O5
Molecular weight: 514.582
InChI: InChI=1S/C29H30N4O5/c1-32-23(21-13-7-9-15-30-21)28(26(35)37-2)18-33(17-20-11-5-4-6-12-20)19-29(25(28)34,27(36)38-3)24(32)22-14-8-10-16-31-22/h4-16,23-24H,17-19H2,1-3H3/t23?,24?,28-,29+
InChI key: FAWJSYBTIHQWLL-LXCDNTOHSA-N
SMILES: COC(=O)[C@@]12CN(Cc3ccccc3)C[C@](C(N(C)C1c1ccccn1)c1ccccn1)(C(=O)OC)C2=O
Systematic name  (3):
  • (1S,5R)-2,4-ビス(2-ピリジル)-3-メチル-7-ベンジル-9-オキソ-3,7-ジアザビシクロ[3.3.1]ノナン-1,5-ジカルボン酸ジメチル
  • 1,5-ジメチル (1R,5S)-7-ベンジル-3-メチル-9-オキソ-2,4-ビス(ピリジン-2-イル)-3,7-ジアザビシクロ[3.3.1]ノナン-1,5-ジカルボキシラート
  • 1,5-dimethyl (1R,5S)-7-benzyl-3-methyl-9-oxo-2,4-bis(pyridin-2-yl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate
Other name (1):
  • (1S,5R)-2,4-Bis(2-pyridyl)-3-methyl-7-benzyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid dimethyl ester
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