Chem
J-GLOBAL ID:200907018558998772
Nikkaji number:J523.859E
L-668018
3-[[(S)-[3-[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
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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:
C26 H27 ClN2 O3 S2
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)/t26-/m0/s1
InChI key:
AXUZQJFHDNNPFG-SANMLTNESA-N
SMILES:
CN(C)C(=O)CCS[C@@H](SCCC(=O)O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
Systematic name (3):
3-[[(S)-[3-[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-[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-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}({[2-(dimethylcarbamoyl)ethyl]sulfanyl})methyl]sulfanyl}propanoic acid
Other name (3):
(+)-MK-571
L-668018
3-[[(S)-[3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl][[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]propionic acid
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