Chem
J-GLOBAL ID：200907089203919566   Nikkaji number：J1.597.927E

1-[2-Oxo-2-(3,4-dimethoxyphenyl)ethyl]-2-[(2S)-2-[(4-aminophenylsulfonyl)amino]propionyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

1-[2-オキソ-2-(3,4-ジメトキシフェニル)エチル]-2-[(2S)-2-[(4-アミノフェニルスルホニル)アミノ]プロピオニル]-6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン
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： C30H35N3O8S
Molecular formula furigana： C30-H35-N3-O8-S
Molecular weight： 597.680
InChI： InChI=1S/C30H35N3O8S/c1-18(32-42(36,37)22-9-7-21(31)8-10-22)30(35)33-13-12-19-14-28(40-4)29(41-5)16-23(19)24(33)17-25(34)20-6-11-26(38-2)27(15-20)39-3/h6-11,14-16,18,24,32H,12-13,17,31H2,1-5H3/t18-,24?/m0/s1
InChI key： ZHNGJCOBMKUHAJ-VEXWJQHLSA-N
SMILES： COc1ccc(cc1OC)C(=O)CC1N(CCc2cc(OC)c(OC)cc12)C(=O)[C@H](C)NS(=O)(=O)c1ccc(N)cc1
Systematic name  (3)：
  • 1-[2-オキソ-2-(3,4-ジメトキシフェニル)エチル]-2-[(2S)-2-[(4-アミノフェニルスルホニル)アミノ]プロピオニル]-6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン
  • 4-アミノ-N-[(2S)-1-{1-[2-(3,4-ジメトキシフェニル)-2-オキソエチル]-6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン-2-イル}-1-オキソプロパン-2-イル]ベンゼン-1-スルホンアミド
  • 4-amino-N-[(2S)-1-{1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}-1-oxopropan-2-yl]benzene-1-sulfonamide
Other name (1)：
  • 1-[2-Oxo-2-(3,4-dimethoxyphenyl)ethyl]-2-[(2S)-2-[(4-aminophenylsulfonyl)amino]propionyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
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