Chem
J-GLOBAL ID：200907079767292975   Nikkaji number：J2.583.422D

N-[(S)-Fluorocyano(4-methylphenyl)acetyl]-L-glutamic acid 1-methyl 5-ethyl ester

N-[(S)-フルオロシアノ(4-メチルフェニル)アセチル]-L-グルタミン酸1-メチル5-エチル
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： C18H21FN2O5
Molecular formula furigana： C18-H21-F-N2-O5
Molecular weight： 364.373
InChI： InChI=1S/C18H21FN2O5/c1-4-26-15(22)10-9-14(16(23)25-3)21-17(24)18(19,11-20)13-7-5-12(2)6-8-13/h5-8,14H,4,9-10H2,1-3H3,(H,21,24)/t14-,18+/m0/s1
InChI key： VRXMGEDOHFAJFU-KBXCAEBGSA-N
SMILES： CCOC(=O)CC[C@H](NC(=O)[C@@](F)(C#N)c1ccc(C)cc1)C(=O)OC
Systematic name  (3)：
  • N-[(S)-フルオロシアノ(4-メチルフェニル)アセチル]-L-グルタミン酸1-メチル5-エチル
  • 5-エチル 1-メチル (2S)-2-[(2S)-2-シアノ-2-フルオロ-2-(4-メチルフェニル)アセトアミド]ペンタンジオアート
  • 5-ethyl 1-methyl (2S)-2-[(2S)-2-cyano-2-fluoro-2-(4-methylphenyl)acetamido]pentanedioate
Other name (1)：
  • N-[(S)-Fluorocyano(4-methylphenyl)acetyl]-L-glutamic acid 1-methyl 5-ethyl ester
Thsaurus map：
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