Chem
J-GLOBAL ID：200907029514887789
Nikkaji number：J1.597.914C
2-[(2S)-2-[(1,3-Dioxo-2H-isoindole-2-yl)sulfonylamino]propionyl]-1,2-dihydroisoquinoline-1-acetic acid benzyl ester
2-[(2S)-2-[(1,3-ジオキソ-2H-イソインドール-2-イル)スルホニルアミノ]プロピオニル]-1,2-ジヒドロイソキノリン-1-酢酸ベンジル
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： C29H25N3O7S
Molecular formula furigana： C29-H25-N3-O7-S
Molecular weight： 559.590
InChI：
InChI=1S/C29H25N3O7S/c1-19(30-40(37,38)32-28(35)23-13-7-8-14-24(23)29(32)36)27(34)31-16-15-21-11-5-6-12-22(21)25(31)17-26(33)39-18-20-9-3-2-4-10-20/h2-16,19,25,30H,17-18H2,1H3/t19-,25?/m0/s1
InChI key：
BNMUVRLMFJLBQQ-UBDBMELISA-N
SMILES：
C[C@H](NS(=O)(=O)N1C(=O)c2ccccc2C1=O)C(=O)N1C=Cc2ccccc2C1CC(=O)OCc1ccccc1
Systematic name (3)：
- 2-[(2S)-2-[(1,3-ジオキソ-2H-イソインドール-2-イル)スルホニルアミノ]プロピオニル]-1,2-ジヒドロイソキノリン-1-酢酸ベンジル
- ベンジル 2-{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)スルホニル]アミノ}プロパノイル]-1,2-ジヒドロイソキノリン-1-イル}アセタート
- benzyl 2-{2-[(2S)-2-{[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)sulfonyl]amino}propanoyl]-1,2-dihydroisoquinolin-1-yl}acetate
- 2-[(2S)-2-[(1,3-Dioxo-2H-isoindole-2-yl)sulfonylamino]propionyl]-1,2-dihydroisoquinoline-1-acetic acid benzyl ester
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