Chem
J-GLOBAL ID:201207025970658473
Nikkaji number:J3.027.913A
2-[[[4-Methoxyphenylimino(methylthio)methyl]amino]methyl]-3-[(tert-butyloxycarbonyl)amino]propenoic acid ethyl ester
2-[[[4-メトキシフェニルイミノ(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
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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:
C20 H29 N3 O5 S
Molecular formula furigana:
C20-H29-N3-O5-S
Molecular weight:
423.530
InChI:
InChI=1S/C20H29N3O5S/c1-7-27-17(24)14(13-22-19(25)28-20(2,3)4)12-21-18(29-6)23-15-8-10-16(26-5)11-9-15/h8-11,13H,7,12H2,1-6H3,(H,21,23)(H,22,25)
InChI key:
ZUJRFPGWHWIUMG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CNC(=O)OC(C)(C)C)CNC(=Nc1ccc(OC)cc1)SC
Systematic name (3):
2-[[[4-メトキシフェニルイミノ(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-メトキシフェニル)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-methoxyphenyl)imino](methylsulfanyl)methyl}amino)methyl]prop-2-enoate
Other name (1):
2-[[[4-Methoxyphenylimino(methylthio)methyl]amino]methyl]-3-[(tert-butyloxycarbonyl)amino]propenoic acid ethyl ester
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