6-azanyl-2-[oxidanyl-[(3-phenylpropanoylamino)-piperidin-4-yl-methyl]phosphoryl]oxy-hexanoic acid

Systemtic Name: 6-azanyl-2-[oxidanyl-[(3-phenylpropanoylamino)-piperidin-4-yl-methyl]phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[hydroxy-[(3-phenylpropanoylamino)-(4-piperidyl)methyl]phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[hydroxy-[[(1-oxo-3-phenylpropyl)amino]-(4-piperidinyl)methyl]phosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[hydroxy-[(3-phenylpropanoylamino)-piperidin-4-ylmethyl]phosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[[(hydrocinnamoylamino)-(4-piperidyl)methyl]-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C21H34N3O6P MolecularWeight: 455.484921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(NC(=O)CCC2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

Isomeric SMILES

C1CNCCC1C(NC(=O)CCC2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

InChI

InChI=1S/C21H34N3O6P/c22-13-5-4-8-18(21(26)27)30-31(28,29)20(17-11-14-23-15-12-17)24-19(25)10-9-16-6-2-1-3-7-16/h1-3,6-7,17-18,20,23H,4-5,8-15,22H2,(H,24,25)(H,26,27)(H,28,29)