3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoic acid; phenylmethanamine

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoic acid; phenylmethanamine Openeye Name: 2-(benzyloxycarbonylamino)-3-(3,4-dihydroxyphenyl)-3-hydroxy-propanoic acid; phenylmethanamine CAS Name: 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid; phenylmethanamine IUPAC Name: 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid; phenylmethanamine Traditional Name: benzylamine; 2-(benzyloxycarbonylamino)-3-(3,4-dihydroxyphenyl)-3-hydroxy-propionic acid Formula: C24H26N2O7 MolecularWeight: 454.47244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN.C1=CC=C(C=C1)COC(=O)NC(C(C2=CC(=C(C=C2)O)O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN.C1=CC=C(C=C1)COC(=O)NC(C(C2=CC(=C(C=C2)O)O)O)C(=O)O

InChI

InChI=1S/C17H17NO7.C7H9N/c19-12-7-6-11(8-13(12)20)15(21)14(16(22)23)18-17(24)25-9-10-4-2-1-3-5-10;8-6-7-4-2-1-3-5-7/h1-8,14-15,19-21H,9H2,(H,18,24)(H,22,23);1-5H,6,8H2