2-(5-azanylpentyl)-1-(2-azanylpropanoyl)-3,4-dihydroisoquinoline-1,3-dicarboxylic acid

Systemtic Name: 2-(5-azanylpentyl)-1-(2-azanylpropanoyl)-3,4-dihydroisoquinoline-1,3-dicarboxylic acid Openeye Name: 2-(5-aminopentyl)-1-(2-aminopropanoyl)-3,4-dihydroisoquinoline-1,3-dicarboxylic acid CAS Name: 1-(2-amino-1-oxopropyl)-2-(5-aminopentyl)-3,4-dihydroisoquinoline-1,3-dicarboxylic acid IUPAC Name: 2-(5-aminopentyl)-1-(2-aminopropanoyl)-3,4-dihydroisoquinoline-1,3-dicarboxylic acid Traditional Name: 1-alanyl-2-(5-aminopentyl)-3,4-dihydroisoquinoline-1,3-dicarboxylic acid Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1(C2=CC=CC=C2CC(N1CCCCCN)C(=O)O)C(=O)O)N

Isomeric SMILES

CC(C(=O)C1(C2=CC=CC=C2CC(N1CCCCCN)C(=O)O)C(=O)O)N

InChI

InChI=1S/C19H27N3O5/c1-12(21)16(23)19(18(26)27)14-8-4-3-7-13(14)11-15(17(24)25)22(19)10-6-2-5-9-20/h3-4,7-8,12,15H,2,5-6,9-11,20-21H2,1H3,(H,24,25)(H,26,27)