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

Systemtic Name: 6-azanyl-2-[oxidanyl-[2-oxidanyl-1-(3-phenylpropanoylamino)ethyl]phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[hydroxy-[2-hydroxy-1-(3-phenylpropanoylamino)ethyl]phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[hydroxy-[2-hydroxy-1-[(1-oxo-3-phenylpropyl)amino]ethyl]phosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[hydroxy-[2-hydroxy-1-(3-phenylpropanoylamino)ethyl]phosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[[1-(hydrocinnamoylamino)-2-hydroxy-ethyl]-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C17H27N2O7P MolecularWeight: 402.379241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N2O7P/c18-11-5-4-8-14(17(22)23)26-27(24,25)16(12-20)19-15(21)10-9-13-6-2-1-3-7-13/h1-3,6-7,14,16,20H,4-5,8-12,18H2,(H,19,21)(H,22,23)(H,24,25)