3-[2-azanylethyl-(3-oxidanyl-3-oxidanylidene-2-phenethyloxy-propyl)amino]-2-phenethyloxy-propanoic acid

Systemtic Name: 3-[2-azanylethyl-(3-oxidanyl-3-oxidanylidene-2-phenethyloxy-propyl)amino]-2-phenethyloxy-propanoic acid Openeye Name: 3-[2-aminoethyl-(3-hydroxy-3-oxo-2-phenethyloxy-propyl)amino]-2-phenethyloxy-propanoic acid CAS Name: 3-[2-aminoethyl-(3-hydroxy-3-oxo-2-phenethyloxypropyl)amino]-2-phenethyloxypropanoic acid IUPAC Name: 3-[2-aminoethyl-(3-hydroxy-3-oxo-2-phenethyloxypropyl)amino]-2-phenethyloxypropanoic acid Traditional Name: 3-[2-aminoethyl-(3-hydroxy-3-keto-2-phenethyloxy-propyl)amino]-2-phenethyloxy-propionic acid Formula: C24H32N2O6 MolecularWeight: 444.52068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(CN(CCN)CC(C(=O)O)OCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC(CN(CCN)CC(C(=O)O)OCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C24H32N2O6/c25-13-14-26(17-21(23(27)28)31-15-11-19-7-3-1-4-8-19)18-22(24(29)30)32-16-12-20-9-5-2-6-10-20/h1-10,21-22H,11-18,25H2,(H,27,28)(H,29,30)