Chem
J-GLOBAL ID：201707000468723835   Nikkaji number：J3.614.913B

Neoseptin 3

ネオセプチン3
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： C29H34N2O4
Molecular formula furigana： C29-H34-N2-O4
Molecular weight： 474.601
InChI： InChI=1S/C29H34N2O4/c1-29(2,3)35-28(34)26(18-12-20-7-5-4-6-8-20)31-27(33)23-14-17-25(30)22(19-23)13-9-21-10-15-24(32)16-11-21/h4-8,10-11,14-17,19,26,32H,9,12-13,18,30H2,1-3H3,(H,31,33)/t26-/m0/s1
InChI key： OACODUCFPHHCIH-SANMLTNESA-N
SMILES： CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1
Systematic name  (3)：
  • (S)-2-[[4-アミノ-3-[2-(4-ヒドロキシフェニル)エチル]ベンゾイル]アミノ]-4-フェニルブタン酸tert-ブチル
  • tert-ブチル (2S)-2-({4-アミノ-3-[2-(4-ヒドロキシフェニル)エチル]フェニル}ホルムアミド)-4-フェニルブタノアート
  • tert-butyl (2S)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]phenyl}formamido)-4-phenylbutanoate
Other name (3)：
  • (S)-2-[[4-Amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl]amino]-4-phenylbutanoic acid tert-butyl ester
  • ネオセプチン3
  • Neoseptin 3
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