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

Systemtic Name: 6-azanyl-2-[oxidanyl-[phenyl-(3-phenylpropanoylamino)methyl]phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[hydroxy-[phenyl-(3-phenylpropanoylamino)methyl]phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[hydroxy-[[(1-oxo-3-phenylpropyl)amino]-phenylmethyl]phosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[hydroxy-[phenyl-(3-phenylpropanoylamino)methyl]phosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[[(hydrocinnamoylamino)-phenyl-methyl]-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C22H29N2O6P MolecularWeight: 448.449221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(C2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(C2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

InChI

InChI=1S/C22H29N2O6P/c23-16-8-7-13-19(22(26)27)30-31(28,29)21(18-11-5-2-6-12-18)24-20(25)15-14-17-9-3-1-4-10-17/h1-6,9-12,19,21H,7-8,13-16,23H2,(H,24,25)(H,26,27)(H,28,29)