Chem
J-GLOBAL ID：201207036603279735   Nikkaji number：J3.027.914J

2-[[[4-Methylphenylimino(methylthio)methyl]amino]methyl]-3-[(tert-butyloxycarbonyl)amino]propenoic acid ethyl ester

2-[[[4-メチルフェニルイミノ(メチルチオ)メチル]アミノ]メチル]-3-[(tert-ブチルオキシカルボニル)アミノ]プロペン酸エチル
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： C20H29N3O4S
Molecular formula furigana： C20-H29-N3-O4-S
Molecular weight： 407.530
InChI： InChI=1S/C20H29N3O4S/c1-7-26-17(24)15(13-22-19(25)27-20(3,4)5)12-21-18(28-6)23-16-10-8-14(2)9-11-16/h8-11,13H,7,12H2,1-6H3,(H,21,23)(H,22,25)
InChI key： YCVMDBSNNHTAQW-UHFFFAOYSA-N
SMILES： CCOC(=O)C(=CNC(=O)OC(C)(C)C)CNC(=Nc1ccc(C)cc1)SC
Systematic name  (3)：
  • 2-[[[4-メチルフェニルイミノ(メチルチオ)メチル]アミノ]メチル]-3-[(tert-ブチルオキシカルボニル)アミノ]プロペン酸エチル
  • エチル 3-{[(tert-ブトキシ)カルボニル]アミノ}-2-[({[(4-メチルフェニル)イミノ](メチルスルファニル)メチル}アミノ)メチル]プロパ-2-エノアート
  • ethyl 3-{[(tert-butoxy)carbonyl]amino}-2-[({[(4-methylphenyl)imino](methylsulfanyl)methyl}amino)methyl]prop-2-enoate
Other name (1)：
  • 2-[[[4-Methylphenylimino(methylthio)methyl]amino]methyl]-3-[(tert-butyloxycarbonyl)amino]propenoic acid ethyl ester
Thsaurus map：
Thesaurus Map

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