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

Systemtic Name: 6-azanyl-2-[oxidanyl-[1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[hydroxy-[1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[hydroxy-[1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[hydroxy-[1-(3-phenylpropanoylamino)propyl]phosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[1-(hydrocinnamoylamino)propyl-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C18H29N2O6P MolecularWeight: 400.406421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N2O6P/c1-2-17(20-16(21)12-11-14-8-4-3-5-9-14)27(24,25)26-15(18(22)23)10-6-7-13-19/h3-5,8-9,15,17H,2,6-7,10-13,19H2,1H3,(H,20,21)(H,22,23)(H,24,25)