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Chem
J-GLOBAL ID：202207012062276763
Nikkaji number：J3.772.817I メチル(2S,4S)-9-[(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-アミド]-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
メチル(2S,4S)-9-[(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-アミド]-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
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： C33H48N2O9
Molecular formula furigana： C33-H48-N2-O9
Molecular weight： 616.752
InChI：
InChI=1S/C33H48N2O9/c1-22-19-23(2)42-32(41-22)15-11-30(12-16-32,35-29(38)40-21-26-9-7-6-8-10-26)27(36)34-31(28(37)39-5)13-17-33(18-14-31)43-24(3)20-25(4)44-33/h6-10,22-25H,11-21H2,1-5H3,(H,34,36)(H,35,38)/t22-,23-,24-,25-/m0/s1
InChI key：
PKFOXWYYGGMCGW-QORCZRPOSA-N
SMILES：
O1[C@H](C[C@@H](OC21CCC(CC2)(C(=O)OC)NC(=O)C1(CCC2(O[C@H](C[C@@H](O2)C)C)CC1)NC(=O)OCc1ccccc1)C)C
Systematic name (3)： - (2S,4S)-2,4-ジメチル-9-[[[(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-イル]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-[(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-アミド]-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-[(2S,4S)-9-{[(benzyloxy)carbonyl]amino}-2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-amido]-2,4-dimethyl-1,5-dioxaspiro[5.5]undecane-9-carboxylate
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