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

Systemtic Name: 6-azanyl-2-[[3-methyl-1-(3-phenylpropanoylamino)butyl]-oxidanyl-phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[hydroxy-[3-methyl-1-(3-phenylpropanoylamino)butyl]phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[hydroxy-[3-methyl-1-[(1-oxo-3-phenylpropyl)amino]butyl]phosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[hydroxy-[3-methyl-1-(3-phenylpropanoylamino)butyl]phosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[[1-(hydrocinnamoylamino)-3-methyl-butyl]-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C20H33N2O6P MolecularWeight: 428.459581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N2O6P/c1-15(2)14-19(22-18(23)12-11-16-8-4-3-5-9-16)29(26,27)28-17(20(24)25)10-6-7-13-21/h3-5,8-9,15,17,19H,6-7,10-14,21H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)