Chem
J-GLOBAL ID：200907037892833720   Nikkaji number：J2.560.618C

TIPP-703

(S)-2-[3-[[4-(1-アダマンチル)ベンゾイルアミノ]メチル]-4-プロポキシベンジル]酪酸
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： C32H41NO4
Molecular formula furigana： C32-H41-N-O4
Molecular weight： 503.683
InChI： InChI=1S/C32H41NO4/c1-3-11-37-29-10-5-21(15-25(4-2)31(35)36)16-27(29)20-33-30(34)26-6-8-28(9-7-26)32-17-22-12-23(18-32)14-24(13-22)19-32/h5-10,16,22-25H,3-4,11-15,17-20H2,1-2H3,(H,33,34)(H,35,36)/t22-,23?,24?,25-,32-/m0/s1
InChI key： GUFHDBFHNDUDJA-CPHPHHKFSA-N
SMILES： CCCOc1ccc(C[C@H](CC)C(=O)O)cc1CNC(=O)c1ccc(cc1)[C@@]12CC3C[C@@H](CC(C3)C1)C2
Systematic name  (5)：
  • (αS)-3-[[4-(1-アダマンチル)ベンゾイル]アミノメチル]-α-エチル-4-プロポキシベンゼンプロパン酸
  • (2S)-2-[3-[[4-(1-アダマンチル)ベンゾイルアミノ]メチル]-4-プロポキシベンジル]ブタン酸
  • (S)-2-[3-[[4-(1-アダマンチル)ベンゾイルアミノ]メチル]-4-プロポキシベンジル]酪酸
  • (2S)-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)ブタン酸
  • (2S)-2-({4-propoxy-3-[({4-[(3r)-adamantan-1-yl]phenyl}formamido)methyl]phenyl}methyl)butanoic acid
Other name (4)：
  • (αS)-3-[[4-(1-Adamantyl)benzoyl]aminomethyl]-α-ethyl-4-propoxybenzenepropanoic acid
  • (2S)-2-[3-[[4-(1-Adamantyl)benzoylamino]methyl]-4-propoxybenzyl]butanoic acid
  • (S)-2-[3-[[4-(1-Adamantyl)benzoylamino]methyl]-4-propoxybenzyl]butyric acid
  • TIPP-703
Thsaurus map：
Thesaurus Map

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