2-(3-azanyl-2-methyl-phenyl)-3-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 2-(3-azanyl-2-methyl-phenyl)-3-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 2-(3-amino-2-methyl-phenyl)-3-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]propanoic acid CAS Name: 2-(3-amino-2-methylphenyl)-3-[hydroxy-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphoryl]propanoic acid IUPAC Name: 2-(3-amino-2-methylphenyl)-3-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]propanoic acid Traditional Name: 2-(3-amino-2-methyl-phenyl)-3-[[1-(hydrocinnamoylamino)-2-methyl-propyl]-hydroxy-phosphoryl]propionic acid Formula: C23H31N2O5P MolecularWeight: 446.476401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N)C(CP(=O)(C(C(C)C)NC(=O)CCC2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1N)C(CP(=O)(C(C(C)C)NC(=O)CCC2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C23H31N2O5P/c1-15(2)22(25-21(26)13-12-17-8-5-4-6-9-17)31(29,30)14-19(23(27)28)18-10-7-11-20(24)16(18)3/h4-11,15,19,22H,12-14,24H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)