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

Systemtic Name: 6-azanyl-2-[[2-ethyl-1-(3-phenylpropanoylamino)butyl]-oxidanyl-phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[[2-ethyl-1-(3-phenylpropanoylamino)butyl]-hydroxy-phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[[2-ethyl-1-[(1-oxo-3-phenylpropyl)amino]butyl]-hydroxyphosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[[2-ethyl-1-(3-phenylpropanoylamino)butyl]-hydroxyphosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[[2-ethyl-1-(hydrocinnamoylamino)butyl]-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C21H35N2O6P MolecularWeight: 442.486161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N2O6P/c1-3-17(4-2)20(23-19(24)14-13-16-10-6-5-7-11-16)30(27,28)29-18(21(25)26)12-8-9-15-22/h5-7,10-11,17-18,20H,3-4,8-9,12-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)