2-[2-[(1-oxidanyl-1-oxidanylidene-3-phenylmethoxy-propan-2-yl)amino]ethylamino]-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-[2-[(1-oxidanyl-1-oxidanylidene-3-phenylmethoxy-propan-2-yl)amino]ethylamino]-3-phenylmethoxy-propanoic acid Openeye Name: 3-benzyloxy-2-[2-[[1-(benzyloxymethyl)-2-hydroxy-2-oxo-ethyl]amino]ethylamino]propanoic acid CAS Name: 2-[2-[(1-hydroxy-1-oxo-3-phenylmethoxypropan-2-yl)amino]ethylamino]-3-phenylmethoxypropanoic acid IUPAC Name: 2-[2-[(1-hydroxy-1-oxo-3-phenylmethoxypropan-2-yl)amino]ethylamino]-3-phenylmethoxypropanoic acid Traditional Name: 3-benzoxy-2-[2-[[1-(benzoxymethyl)-2-hydroxy-2-keto-ethyl]amino]ethylamino]propionic acid Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(C(=O)O)NCCNC(COCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCC(C(=O)O)NCCNC(COCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H28N2O6/c25-21(26)19(15-29-13-17-7-3-1-4-8-17)23-11-12-24-20(22(27)28)16-30-14-18-9-5-2-6-10-18/h1-10,19-20,23-24H,11-16H2,(H,25,26)(H,27,28)