O1-(2-azanylpropanoyl) O3-methyl 1-(5-azanylpentyl)-3,4-dihydro-2H-isoquinoline-1,3-dicarboxylate

Systemtic Name: O1-(2-azanylpropanoyl) O3-methyl 1-(5-azanylpentyl)-3,4-dihydro-2H-isoquinoline-1,3-dicarboxylate Openeye Name: O1-(2-aminopropanoyl) O3-methyl 1-(5-aminopentyl)-3,4-dihydro-2H-isoquinoline-1,3-dicarboxylate CAS Name: 1-(5-aminopentyl)-3,4-dihydro-2H-isoquinoline-1,3-dicarboxylic acid O1-(2-amino-1-oxopropyl) ester O3-methyl ester IUPAC Name: 1-O-(2-aminopropanoyl) 3-O-methyl 1-(5-aminopentyl)-3,4-dihydro-2H-isoquinoline-1,3-dicarboxylate Traditional Name: 1-(5-aminopentyl)-3,4-dihydro-2H-isoquinoline-1,3-dicarboxylic acid O1-alanyl ester O3-methyl ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(=O)C1(C2=CC=CC=C2CC(N1)C(=O)OC)CCCCCN)N

Isomeric SMILES

CC(C(=O)OC(=O)C1(C2=CC=CC=C2CC(N1)C(=O)OC)CCCCCN)N

InChI

InChI=1S/C20H29N3O5/c1-13(22)17(24)28-19(26)20(10-6-3-7-11-21)15-9-5-4-8-14(15)12-16(23-20)18(25)27-2/h4-5,8-9,13,16,23H,3,6-7,10-12,21-22H2,1-2H3