Chem
J-GLOBAL ID：200907028087206230   Nikkaji number：J814.350A

CGP-56433

CGP-56433
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： C19H30NO5P
Molecular formula furigana： C19-H30-N-O5-P
Molecular weight： 383.425
InChI： InChI=1S/C19H30NO5P/c1-14(16-8-5-9-17(10-16)19(22)23)20-11-18(21)13-26(24,25)12-15-6-3-2-4-7-15/h5,8-10,14-15,18,20-21H,2-4,6-7,11-13H2,1H3,(H,22,23)(H,24,25)/t14-,18-/m0/s1
InChI key： JCFULPDIJOVUHP-KSSFIOAISA-N
SMILES： C[C@H](NC[C@H](O)CP(=O)(O)CC1CCCCC1)c1cccc(c1)C(=O)O
Systematic name  (3)：
  • 3-[(S)-1-[[(S)-2-ヒドロキシ-3-[ヒドロキシ(シクロヘキシルメチル)ホスフィニル]プロピル]アミノ]エチル]安息香酸
  • 3-[(1S)-1-{[(2S)-3-[(シクロヘキシルメチル)(ヒドロキシ)ホスホリル]-2-ヒドロキシプロピル]アミノ}エチル]安息香酸
  • 3-[(1S)-1-{[(2S)-3-[(cyclohexylmethyl)(hydroxy)phosphoryl]-2-hydroxypropyl]amino}ethyl]benzoic acid
Other name (2)：
  • CGP-56433
  • 3-[(S)-1-[[(S)-2-Hydroxy-3-[hydroxy(cyclohexylmethyl)phosphinyl]propyl]amino]ethyl]benzoic acid
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