1-[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)C2C3=CC=CC=C3CC(N2)C(=O)O)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)C2C3=CC=CC=C3CC(N2)C(=O)O)N)C)O

InChI

InChI=1S/C21H24N2O4/c1-11-7-14(24)8-12(2)16(11)10-17(22)20(25)19-15-6-4-3-5-13(15)9-18(23-19)21(26)27/h3-8,17-19,23-24H,9-10,22H2,1-2H3,(H,26,27)