Chem
J-GLOBAL ID：201207058738356547   Nikkaji number：J3.074.739I

MEKT-1

(R)-2-[3-[[[4-(アダマンタン-1-イル)ベンゾイル]アミノ]メチル]-4-(プロピルオキシ)ベンジル]-3-フェニルプロパン酸
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： C37H43NO4
Molecular formula furigana： C37-H43-N-O4
Molecular weight： 565.754
InChI： InChI=1S/C37H43NO4/c1-2-14-42-34-13-8-26(19-31(36(40)41)18-25-6-4-3-5-7-25)20-32(34)24-38-35(39)30-9-11-33(12-10-30)37-21-27-15-28(22-37)17-29(16-27)23-37/h3-13,20,27-29,31H,2,14-19,21-24H2,1H3,(H,38,39)(H,40,41)/t27-,28?,29?,31-,37-/m1/s1
InChI key： XYMQLACGAYNBRX-KEIZEKBLSA-N
SMILES： CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(cc1)[C@@]12CC3C[C@@H](CC(C3)C1)C2
Systematic name  (3)：
  • (R)-2-[3-[[[4-(アダマンタン-1-イル)ベンゾイル]アミノ]メチル]-4-(プロピルオキシ)ベンジル]-3-フェニルプロパン酸
  • (2R)-3-フェニル-2-({4-プロポキシ-3-[({4-[(3r)-アダマンタン-1-イル]フェニル}ホルムアミド)メチル]フェニル}メチル)プロパン酸
  • (2R)-3-phenyl-2-({4-propoxy-3-[({4-[(3r)-adamantan-1-yl]phenyl}formamido)methyl]phenyl}methyl)propanoic acid
Other name (2)：
  • (R)-2-[3-[[[4-(Adamantane-1-yl)benzoyl]amino]methyl]-4-(propyloxy)benzyl]-3-phenylpropanoic acid
  • MEKT-1
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