Chem
J-GLOBAL ID:200907025293550827   Nikkaji number:J1.597.937B

(1R)-2-[(2S)-2-(1,3-Dioxo-2H-isoindole-2-yl)-3-methylbutyryl]-5,8-dibromo-6,7-dimethoxy-1,2-dihydroisoquinoline-1-acetic acid benzyl ester

(1R)-2-[(2S)-2-(1,3-ジオキソ-2H-イソインドール-2-イル)-3-メチルブチリル]-5,8-ジブロモ-6,7-ジメトキシ-1,2-ジヒドロイソキノリン-1-酢酸ベンジル
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: C33H30Br2N2O7
Molecular formula furigana: C33-H30-BR2-N2-O7
Molecular weight: 726.418
InChI: InChI=1S/C33H30Br2N2O7/c1-18(2)28(37-31(39)20-12-8-9-13-21(20)32(37)40)33(41)36-15-14-22-25(27(35)30(43-4)29(42-3)26(22)34)23(36)16-24(38)44-17-19-10-6-5-7-11-19/h5-15,18,23,28H,16-17H2,1-4H3/t23-,28+/m1/s1
InChI key: SCLZMHPOAPASFO-LXFBAYGMSA-N
SMILES: COc1c(Br)c2C=CN([C@H](CC(=O)OCc3ccccc3)c2c(Br)c1OC)C(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O
Systematic name  (3):
  • (1R)-2-[(2S)-2-(1,3-ジオキソ-2H-イソインドール-2-イル)-3-メチルブチリル]-5,8-ジブロモ-6,7-ジメトキシ-1,2-ジヒドロイソキノリン-1-酢酸ベンジル
  • ベンジル 2-[(1R)-5,8-ジブロモ-2-[(2S)-2-(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)-3-メチルブタノイル]-6,7-ジメトキシ-1,2-ジヒドロイソキノリン-1-イル]アセタート
  • benzyl 2-[(1R)-5,8-dibromo-2-[(2S)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoyl]-6,7-dimethoxy-1,2-dihydroisoquinolin-1-yl]acetate
Other name (1):
  • (1R)-2-[(2S)-2-(1,3-Dioxo-2H-isoindole-2-yl)-3-methylbutyryl]-5,8-dibromo-6,7-dimethoxy-1,2-dihydroisoquinoline-1-acetic acid benzyl ester
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