Chem
J-GLOBAL ID：200907006788518097   Nikkaji number：J499.650J

N-[4-[(2-Propynyl)[(2-(trifluoromethyl)-4-chloroquinolin-6-yl)methyl]amino]benzoyl]-L-glutamic acid

N-[4-[(2-プロピニル)[(2-(トリフルオロメチル)-4-クロロキノリン-6-イル)メチル]アミノ]ベンゾイル]-L-グルタミン酸
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： C26H21ClF3N3O5
Molecular formula furigana： C26-H21-CL-F3-N3-O5
Molecular weight： 547.920
InChI： InChI=1S/C26H21ClF3N3O5/c1-2-11-33(14-15-3-8-20-18(12-15)19(27)13-22(31-20)26(28,29)30)17-6-4-16(5-7-17)24(36)32-21(25(37)38)9-10-23(34)35/h1,3-8,12-13,21H,9-11,14H2,(H,32,36)(H,34,35)(H,37,38)/t21-/m0/s1
InChI key： WQNJFSFVXQITKT-NRFANRHFSA-N
SMILES： OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(cc(Cl)c2c1)C(F)(F)F)C(=O)O
Systematic name  (3)：
  • N-[4-[(2-プロピニル)[(2-(トリフルオロメチル)-4-クロロキノリン-6-イル)メチル]アミノ]ベンゾイル]-L-グルタミン酸
  • (2S)-2-{[4-({[4-クロロ-2-(トリフルオロメチル)キノリン-6-イル]メチル}(プロパ-2-イン-1-イル)アミノ)フェニル]ホルムアミド}ペンタン二酸
  • (2S)-2-{[4-({[4-chloro-2-(trifluoromethyl)quinolin-6-yl]methyl}(prop-2-yn-1-yl)amino)phenyl]formamido}pentanedioic acid
Other name (1)：
  • N-[4-[(2-Propynyl)[(2-(trifluoromethyl)-4-chloroquinolin-6-yl)methyl]amino]benzoyl]-L-glutamic acid
Thsaurus map：
Thesaurus Map

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