1-[2-[(1-carboxycyclohexyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-[2-[(1-carboxycyclohexyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-[2-[(1-carboxycyclohexyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-[2-[(1-carboxycyclohexyl)amino]-1-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-[2-[(1-carboxycyclohexyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-[2-[(1-carboxycyclohexyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1C2=CC=CC=C2CC(N1)C(=O)O)NC3(CCCCC3)C(=O)O

Isomeric SMILES

CC(C(=O)C1C2=CC=CC=C2CC(N1)C(=O)O)NC3(CCCCC3)C(=O)O

InChI

InChI=1S/C20H26N2O5/c1-12(22-20(19(26)27)9-5-2-6-10-20)17(23)16-14-8-4-3-7-13(14)11-15(21-16)18(24)25/h3-4,7-8,12,15-16,21-22H,2,5-6,9-11H2,1H3,(H,24,25)(H,26,27)