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

Systemtic Name: 5-azanyl-2-[[3-methyl-1-(3-phenylpropanoylamino)butyl]-oxidanyl-phosphoryl]oxy-pentanoic acid Openeye Name: 5-amino-2-[hydroxy-[3-methyl-1-(3-phenylpropanoylamino)butyl]phosphoryl]oxy-pentanoic acid CAS Name: 5-amino-2-[hydroxy-[3-methyl-1-[(1-oxo-3-phenylpropyl)amino]butyl]phosphoryl]oxypentanoic acid IUPAC Name: 5-amino-2-[hydroxy-[3-methyl-1-(3-phenylpropanoylamino)butyl]phosphoryl]oxypentanoic acid Traditional Name: 5-amino-2-[[1-(hydrocinnamoylamino)-3-methyl-butyl]-hydroxy-phosphoryl]oxy-valeric acid Formula: C19H31N2O6P MolecularWeight: 414.433001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N2O6P/c1-14(2)13-18(21-17(22)11-10-15-7-4-3-5-8-15)28(25,26)27-16(19(23)24)9-6-12-20/h3-5,7-8,14,16,18H,6,9-13,20H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)