Chem
J-GLOBAL ID：200907055131348648   Nikkaji number：J1.785.779G

3-[[(4S)-1-(Diisopropoxyphosphinyl)-4α-mercapto-L-prolyl]amino]benzoic acid

3-[[(4S)-1-(ジイソプロポキシホスフィニル)-4α-メルカプト-L-プロリル]アミノ]安息香酸
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： C18H27N2O6PS
Molecular formula furigana： C18-H27-N2-O6-P-S
Molecular weight： 430.460
InChI： InChI=1S/C18H27N2O6PS/c1-11(2)25-27(24,26-12(3)4)20-10-15(28)9-16(20)17(21)19-14-7-5-6-13(8-14)18(22)23/h5-8,11-12,15-16,28H,9-10H2,1-4H3,(H,19,21)(H,22,23)/t15-,16-/m0/s1
InChI key： CKLWFRGLRHJOQP-HOTGVXAUSA-N
SMILES： CC(C)OP(=O)(OC(C)C)N1C[C@@H](S)C[C@H]1C(=O)Nc1cccc(c1)C(=O)O
Systematic name  (3)：
  • 3-[[(4S)-1-(ジイソプロポキシホスフィニル)-4α-メルカプト-L-プロリル]アミノ]安息香酸
  • 3-[(2S,4S)-1-[ビス(プロパン-2-イルオキシ)ホスホリル]-4-スルファニルピロリジン-2-アミド]安息香酸
  • 3-[(2S,4S)-1-[bis(propan-2-yloxy)phosphoryl]-4-sulfanylpyrrolidine-2-amido]benzoic acid
Other name (1)：
  • 3-[[(4S)-1-(Diisopropoxyphosphinyl)-4α-mercapto-L-prolyl]amino]benzoic acid
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