3-(2-azanylethanoyloxy)-2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-propanoic acid

Systemtic Name: 3-(2-azanylethanoyloxy)-2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-propanoic acid Openeye Name: 3-(2-aminoacetyl)oxy-2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-propanoic acid CAS Name: 3-(2-amino-1-oxoethoxy)-2-[hydroxy-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphoryl]oxypropanoic acid IUPAC Name: 3-(2-aminoacetyl)oxy-2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxypropanoic acid Traditional Name: 3-glycyloxy-2-[[1-(hydrocinnamoylamino)-2-methyl-propyl]-hydroxy-phosphoryl]oxy-propionic acid Formula: C18H27N2O8P MolecularWeight: 430.389341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC(COC(=O)CN)C(=O)O

Isomeric SMILES

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC(COC(=O)CN)C(=O)O

InChI

InChI=1S/C18H27N2O8P/c1-12(2)17(20-15(21)9-8-13-6-4-3-5-7-13)29(25,26)28-14(18(23)24)11-27-16(22)10-19/h3-7,12,14,17H,8-11,19H2,1-2H3,(H,20,21)(H,23,24)(H,25,26)