(2S)-N-benzyl-2-{[tert-butyl(dimethyl)silyl]oxy}-3-phenoxy-N-{[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl}propan-1-amine (HCID 60071933)

基本情報

標準SMILES: CC1(C)OB(c2ccc3c(c2)CC[C@H](CN(Cc2ccccc2)C[C@@H](COc2ccccc2)O[Si](C)(C)C(C)(C)C)O3)OC1(C)C
InChIKey: SDSLOZVAHSEWAR-NOCHOARKSA-N
分子式: C38H54BNO5Si
平均分子量: 643.7 g/mol

名称と識別子

優先名称: (2S)-N-benzyl-2-{[tert-butyl(dimethyl)silyl]oxy}-3-phenoxy-N-{[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl}propan-1-amine
IUPAC: (2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxy-N-[[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl]propan-1-amine

名称と別名

SCHEMBL6494200SDSLOZVAHSEWAR-NOCHOARKSA-N(2S)-N-{[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl )-3,4-dihydro-2H-chromen-2-yl]methyl}-2-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}-N-(phenylmethyl)-3-(phenyloxy)-1-propanamine(2S)-N-{[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl}-2-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}-N-(phenylmethyl)-3-(phenyloxy)-1-propanamine(2S)-N-benzyl-2-{[tert-butyl(dimethyl)silyl]oxy}-3-phenoxy-N-{[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl}propan-1-amine

データベース識別子

PubChem CID: 60071933

物性

構造計算による物性

極性表面積: 49.4 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 13
重原子数: 46
形式電荷: 0
複雑度: 928

化合物ノート

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