Chem
J-GLOBAL ID：201407038071844169
Nikkaji number：J3.311.224F
(R)-2-[3-Propyl-3-[3-[(2,4-difluorophenyl)ethynyl]benzoyl]ureido]-3-(isobutylthio)propanoic acid
(R)-2-[3-プロピル-3-[3-[(2,4-ジフルオロフェニル)エチニル]ベンゾイル]ウレイド]-3-(イソブチルチオ)プロパン酸
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： C26H28F2N2O4S
Molecular formula furigana： C26-H28-F2-N2-O4-S
Molecular weight： 502.580
InChI：
InChI=1S/C26H28F2N2O4S/c1-4-12-30(26(34)29-23(25(32)33)16-35-15-17(2)3)24(31)20-7-5-6-18(13-20)8-9-19-10-11-21(27)14-22(19)28/h5-7,10-11,13-14,17,23H,4,12,15-16H2,1-3H3,(H,29,34)(H,32,33)/t23-/m0/s1
InChI key：
KBNODIQMRDIBMX-QHCPKHFHSA-N
SMILES：
CCCN(C(=O)N[C@@H](CSCC(C)C)C(=O)O)C(=O)c1cccc(c1)C#Cc1ccc(F)cc1F
Systematic name (3)：
- (R)-2-[3-プロピル-3-[3-[(2,4-ジフルオロフェニル)エチニル]ベンゾイル]ウレイド]-3-(イソブチルチオ)プロパン酸
- (2R)-2-{[(1-{3-[2-(2,4-ジフルオロフェニル)エチニル]フェニル}-N-プロピルホルムアミド)カルボニル]アミノ}-3-[(2-メチルプロピル)スルファニル]プロパン酸
- (2R)-2-{[(1-{3-[2-(2,4-difluorophenyl)ethynyl]phenyl}-N-propylformamido)carbonyl]amino}-3-[(2-methylpropyl)sulfanyl]propanoic acid
- (R)-2-[3-Propyl-3-[3-[(2,4-difluorophenyl)ethynyl]benzoyl]ureido]-3-(isobutylthio)propanoic acid
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