6-azanyl-2-[[4-azanyl-1-(3-phenylpropanoylamino)butyl]-oxidanyl-phosphoryl]oxy-hexanoic acid

Systemtic Name: 6-azanyl-2-[[4-azanyl-1-(3-phenylpropanoylamino)butyl]-oxidanyl-phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[[4-amino-1-(3-phenylpropanoylamino)butyl]-hydroxy-phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[[4-amino-1-[(1-oxo-3-phenylpropyl)amino]butyl]-hydroxyphosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[[4-amino-1-(3-phenylpropanoylamino)butyl]-hydroxyphosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[[4-amino-1-(hydrocinnamoylamino)butyl]-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C19H32N3O6P MolecularWeight: 429.447641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N3O6P/c20-13-5-4-9-16(19(24)25)28-29(26,27)18(10-6-14-21)22-17(23)12-11-15-7-2-1-3-8-15/h1-3,7-8,16,18H,4-6,9-14,20-21H2,(H,22,23)(H,24,25)(H,26,27)