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

Systemtic Name: 3-(5-azanylpentyl)-2-(2-azanylpropanoyl)-3-carboxyoxy-1,4-dihydroisoquinoline-1-carboxylic acid Openeye Name: 3-(5-aminopentyl)-2-(2-aminopropanoyl)-3-carboxyoxy-1,4-dihydroisoquinoline-1-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-3-(5-aminopentyl)-3-carboxyoxy-1,4-dihydroisoquinoline-1-carboxylic acid IUPAC Name: 3-(5-aminopentyl)-2-(2-aminopropanoyl)-3-carboxyoxy-1,4-dihydroisoquinoline-1-carboxylic acid Traditional Name: 2-alanyl-3-(5-aminopentyl)-3-carboxyoxy-1,4-dihydroisoquinoline-1-carboxylic acid Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(C2=CC=CC=C2CC1(CCCCCN)OC(=O)O)C(=O)O)N

Isomeric SMILES

CC(C(=O)N1C(C2=CC=CC=C2CC1(CCCCCN)OC(=O)O)C(=O)O)N

InChI

InChI=1S/C19H27N3O6/c1-12(21)16(23)22-15(17(24)25)14-8-4-3-7-13(14)11-19(22,28-18(26)27)9-5-2-6-10-20/h3-4,7-8,12,15H,2,5-6,9-11,20-21H2,1H3,(H,24,25)(H,26,27)