[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 6-(aminocarbonylamino)hexanoate

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 6-(aminocarbonylamino)hexanoate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 6-ureidohexanoate CAS Name: 6-(carbamoylamino)hexanoic acid [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 6-(carbamoylamino)hexanoate Traditional Name: 6-ureidohexanoic acid [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CCCCCNC(=O)N

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CCCCCNC(=O)N

InChI

InChI=1S/C19H27N3O4/c1-14(26-17(23)9-3-2-6-11-21-19(20)25)18(24)22-12-10-15-7-4-5-8-16(15)13-22/h4-5,7-8,14H,2-3,6,9-13H2,1H3,(H3,20,21,25)/t14-/m1/s1