Chem
J-GLOBAL ID：200907026243606208   Nikkaji number：J2.662.252B

(2S)-2-(3,5-Ditert-butylbenzoylamino)-3-(1-methyl-5-imidazolyl)propanoic acid methyl ester

(2S)-2-(3,5-ジtert-ブチルベンゾイルアミノ)-3-(1-メチル-5-イミダゾリル)プロパン酸メチル
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： C23H33N3O3
Molecular formula furigana： C23-H33-N3-O3
Molecular weight： 399.535
InChI： InChI=1S/C23H33N3O3/c1-22(2,3)16-9-15(10-17(11-16)23(4,5)6)20(27)25-19(21(28)29-8)12-18-13-24-14-26(18)7/h9-11,13-14,19H,12H2,1-8H3,(H,25,27)/t19-/m0/s1
InChI key： BSOMSBQRCWKQHO-IBGZPJMESA-N
SMILES： COC(=O)[C@H](Cc1cncn1C)NC(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • (2S)-2-(3,5-ジtert-ブチルベンゾイルアミノ)-3-(1-メチル-5-イミダゾリル)プロパン酸メチル
  • メチル (2S)-2-[(3,5-ジ-tert-ブチルフェニル)ホルムアミド]-3-(1-メチル-1H-イミダゾール-5-イル)プロパノアート
  • methyl (2S)-2-[(3,5-di-tert-butylphenyl)formamido]-3-(1-methyl-1H-imidazol-5-yl)propanoate
Other name (1)：
  • (2S)-2-(3,5-Ditert-butylbenzoylamino)-3-(1-methyl-5-imidazolyl)propanoic acid methyl ester
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