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Chem
J-GLOBAL ID：202207006500394359
Nikkaji number：J3.772.812H (2S,4S)-2,4-ジメチル-9-[(ベンジルオキシカルボニル)アミノ]-1,5-ジオキサスピロ[5.5]ウンデカン-9-カルボン酸メチル
(2S,4S)-2,4-ジメチル-9-[(ベンジルオキシカルボニル)アミノ]-1,5-ジオキサスピロ[5.5]ウンデカン-9-カルボン酸メチル
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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
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
Molecular formula： C21H29NO6
Molecular formula furigana： C21-H29-N-O6
Molecular weight： 391.464
InChI：
InChI=1S/C21H29NO6/c1-15-13-16(2)28-21(27-15)11-9-20(10-12-21,18(23)25-3)22-19(24)26-14-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,22,24)/t15-,16-/m0/s1
InChI key：
WGGAGBRYYPDISX-HOTGVXAUSA-N
SMILES：
O1[C@H](C[C@@H](OC21CCC(CC2)(C(=O)OC)NC(=O)OCc1ccccc1)C)C
Systematic name (3)： - (2S,4S)-2,4-ジメチル-9-[(ベンジルオキシカルボニル)アミノ]-1,5-ジオキサスピロ[5.5]ウンデカン-9-カルボン酸メチル
- メチル(2S,4S)-9-{[(ベンジルオキシ)カルボニル]アミノ}-2,4-ジメチル-1,5-ジオキサスピロ[5.5]ウンデカン-9-カルボキシラート
- methyl (2S,4S)-9-{[(benzyloxy)carbonyl]amino}-2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-carboxylate
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