Chem
J-GLOBAL ID：200907038676367702
Nikkaji number：J350.731I
L-668018
3-[[(αS)-3-[(E)-2-(7-クロロ-2-キノリニル)エテニル]-α-(2-ジメチルアミノカルボニルエチルチオ)ベンジル]チオ]プロピオン酸
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： C26H27ClN2O3S2
Molecular formula furigana： C26-H27-CL-N2-O3-S2
Molecular weight： 515.080
InChI：
InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+/t26-/m0/s1
InChI key：
AXUZQJFHDNNPFG-JORPFSLRSA-N
SMILES：
CN(C)C(=O)CCS[C@@H](SCCC(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
Systematic name (5)：
- 3-[[(S)-[3-[(E)-2-(7-クロロキノリン-2-イル)エテニル]フェニル][[3-(ジメチルアミノ)-3-オキソプロピル]チオ]メチル]チオ]プロピオン酸
- 3-[(S)-[3-[(E)-2-(7-クロロキノリン-2-イル)エテニル]フェニル][[2-(ジメチルアミノカルボニル)エチル]チオ]メチルチオ]プロピオン酸
- 3-[[(αS)-3-[(E)-2-(7-クロロ-2-キノリニル)エテニル]-α-(2-ジメチルアミノカルボニルエチルチオ)ベンジル]チオ]プロピオン酸
- 3-{[(S)-{3-[(1E)-2-(7-クロロキノリン-2-イル)エテニル]フェニル}({[2-(ジメチルカルバモイル)エチル]スルファニル})メチル]スルファニル}プロパン酸
- 3-{[(S)-{3-[(1E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}({[2-(dimethylcarbamoyl)ethyl]sulfanyl})methyl]sulfanyl}propanoic acid
- 3-[[(αS)-3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]-α-(2-dimethylaminocarbonylethylthio)benzyl]thio]propionic acid
- L-668018
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