4-azanyl-2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-butanoic acid

Systemtic Name: 4-azanyl-2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-butanoic acid Openeye Name: 4-amino-2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-butanoic acid CAS Name: 4-amino-2-[hydroxy-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphoryl]oxybutanoic acid IUPAC Name: 4-amino-2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxybutanoic acid Traditional Name: 4-amino-2-[[1-(hydrocinnamoylamino)-2-methyl-propyl]-hydroxy-phosphoryl]oxy-butyric acid Formula: C17H27N2O6P MolecularWeight: 386.379841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC(CCN)C(=O)O

Isomeric SMILES

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC(CCN)C(=O)O

InChI

InChI=1S/C17H27N2O6P/c1-12(2)16(26(23,24)25-14(10-11-18)17(21)22)19-15(20)9-8-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11,18H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)