4-azanyl-3-oxidanyl-5-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]pentanoic acid

Systemtic Name: 4-azanyl-3-oxidanyl-5-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]pentanoic acid Openeye Name: 4-amino-3-hydroxy-5-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]pentanoic acid CAS Name: 4-amino-3-hydroxy-5-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]pentanoic acid IUPAC Name: 4-amino-3-hydroxy-5-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]pentanoic acid Traditional Name: 4-amino-3-hydroxy-5-phenyl-2-[(2,3,4-trimethoxybenzyl)amino]valeric acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC(C(C(CC2=CC=CC=C2)N)O)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC(C(C(CC2=CC=CC=C2)N)O)C(=O)O)OC)OC

InChI

InChI=1S/C21H28N2O6/c1-27-16-10-9-14(19(28-2)20(16)29-3)12-23-17(21(25)26)18(24)15(22)11-13-7-5-4-6-8-13/h4-10,15,17-18,23-24H,11-12,22H2,1-3H3,(H,25,26)