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

Systemtic Name: 5-azanyl-2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-pentanoic acid Openeye Name: 5-amino-2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-pentanoic acid CAS Name: 5-amino-2-[hydroxy-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphoryl]oxypentanoic acid IUPAC Name: 5-amino-2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxypentanoic acid Traditional Name: 5-amino-2-[[1-(hydrocinnamoylamino)-2-methyl-propyl]-hydroxy-phosphoryl]oxy-valeric acid Formula: C18H29N2O6P MolecularWeight: 400.406421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N2O6P/c1-13(2)17(20-16(21)11-10-14-7-4-3-5-8-14)27(24,25)26-15(18(22)23)9-6-12-19/h3-5,7-8,13,15,17H,6,9-12,19H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)