Chem
J-GLOBAL ID：200907002163645907   Nikkaji number：J1.851.614D

(2S,3S)-2-(4-Methoxyphenylamino)-3-[(R)-hydroxycyanomethyl]heptanoic acid ethyl ester

(2S,3S)-2-(4-メトキシフェニルアミノ)-3-[(R)-ヒドロキシシアノメチル]ヘプタン酸エチル
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： C18H26N2O4
Molecular formula furigana： C18-H26-N2-O4
Molecular weight： 334.416
InChI： InChI=1S/C18H26N2O4/c1-4-6-7-15(16(21)12-19)17(18(22)24-5-2)20-13-8-10-14(23-3)11-9-13/h8-11,15-17,20-21H,4-7H2,1-3H3/t15-,16+,17+/m1/s1
InChI key： KQURYKXDXPNOFR-IKGGRYGDSA-N
SMILES： CCCC[C@H]([C@@H](O)C#N)[C@H](Nc1ccc(OC)cc1)C(=O)OCC
Systematic name  (3)：
  • (2S,3S)-2-(4-メトキシフェニルアミノ)-3-[(R)-ヒドロキシシアノメチル]ヘプタン酸エチル
  • エチル (2S,3S)-3-[(R)-シアノ(ヒドロキシ)メチル]-2-[(4-メトキシフェニル)アミノ]ヘプタノアート
  • ethyl (2S,3S)-3-[(R)-cyano(hydroxy)methyl]-2-[(4-methoxyphenyl)amino]heptanoate
Other name (1)：
  • (2S,3S)-2-(4-Methoxyphenylamino)-3-[(R)-hydroxycyanomethyl]heptanoic acid ethyl ester
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