methyl (3R)-2-[2-[6-(aminocarbonylamino)hexanoyloxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[6-(aminocarbonylamino)hexanoyloxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(6-ureidohexanoyloxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[6-(carbamoylamino)-1-oxohexoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[6-(carbamoylamino)hexanoyloxy]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(6-ureidohexanoyloxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)CCCCCNC(=O)N

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)CCCCCNC(=O)N

InChI

InChI=1S/C20H27N3O6/c1-28-19(26)16-11-14-7-4-5-8-15(14)12-23(16)17(24)13-29-18(25)9-3-2-6-10-22-20(21)27/h4-5,7-8,16H,2-3,6,9-13H2,1H3,(H3,21,22,27)/t16-/m1/s1