1-(2-azanylpropanoyl)-2-(3-phenylpropyl)-3,4-dihydroisoquinoline-1,3-dicarboxylic acid

Systemtic Name: 1-(2-azanylpropanoyl)-2-(3-phenylpropyl)-3,4-dihydroisoquinoline-1,3-dicarboxylic acid Openeye Name: 1-(2-aminopropanoyl)-2-(3-phenylpropyl)-3,4-dihydroisoquinoline-1,3-dicarboxylic acid CAS Name: 1-(2-amino-1-oxopropyl)-2-(3-phenylpropyl)-3,4-dihydroisoquinoline-1,3-dicarboxylic acid IUPAC Name: 1-(2-aminopropanoyl)-2-(3-phenylpropyl)-3,4-dihydroisoquinoline-1,3-dicarboxylic acid Traditional Name: 1-alanyl-2-(3-phenylpropyl)-3,4-dihydroisoquinoline-1,3-dicarboxylic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1(C2=CC=CC=C2CC(N1CCCC3=CC=CC=C3)C(=O)O)C(=O)O)N

Isomeric SMILES

CC(C(=O)C1(C2=CC=CC=C2CC(N1CCCC3=CC=CC=C3)C(=O)O)C(=O)O)N

InChI

InChI=1S/C23H26N2O5/c1-15(24)20(26)23(22(29)30)18-12-6-5-11-17(18)14-19(21(27)28)25(23)13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,15,19H,7,10,13-14,24H2,1H3,(H,27,28)(H,29,30)