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

Systemtic Name: 6-azanyl-2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[hydroxy-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[[1-(hydrocinnamoylamino)-2-methyl-propyl]-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C19H31N2O6P MolecularWeight: 414.433001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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