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

Systemtic Name: 6-azanyl-2-[oxidanyl-[1-(3-phenylpropanoylamino)butyl]phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[hydroxy-[1-(3-phenylpropanoylamino)butyl]phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[hydroxy-[1-[(1-oxo-3-phenylpropyl)amino]butyl]phosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[hydroxy-[1-(3-phenylpropanoylamino)butyl]phosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[1-(hydrocinnamoylamino)butyl-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C19H31N2O6P MolecularWeight: 414.433001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N2O6P/c1-2-8-18(21-17(22)13-12-15-9-4-3-5-10-15)28(25,26)27-16(19(23)24)11-6-7-14-20/h3-5,9-10,16,18H,2,6-8,11-14,20H2,1H3,(H,21,22)(H,23,24)(H,25,26)