2-[azanyl(2-phenylethanoyl)amino]-3-[4-(dioxidanyl)-3-methoxy-phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-[azanyl(2-phenylethanoyl)amino]-3-[4-(dioxidanyl)-3-methoxy-phenyl]-2-methyl-propanoic acid Openeye Name: 2-[amino-(2-phenylacetyl)amino]-3-(4-hydroperoxy-3-methoxy-phenyl)-2-methyl-propanoic acid CAS Name: 2-[amino-(1-oxo-2-phenylethyl)amino]-3-(4-hydroperoxy-3-methoxyphenyl)-2-methylpropanoic acid IUPAC Name: 2-[amino-(2-phenylacetyl)amino]-3-(4-hydroperoxy-3-methoxyphenyl)-2-methylpropanoic acid Traditional Name: 2-[amino-(2-phenylacetyl)amino]-3-(4-hydroperoxy-3-methoxy-phenyl)-2-methyl-propionic acid Formula: C19H22N2O6 MolecularWeight: 374.38778

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OO)OC)(C(=O)O)N(C(=O)CC2=CC=CC=C2)N

Isomeric SMILES

CC(CC1=CC(=C(C=C1)OO)OC)(C(=O)O)N(C(=O)CC2=CC=CC=C2)N

InChI

InChI=1S/C19H22N2O6/c1-19(18(23)24,12-14-8-9-15(27-25)16(10-14)26-2)21(20)17(22)11-13-6-4-3-5-7-13/h3-10,25H,11-12,20H2,1-2H3,(H,23,24)