tert-butyl (3S)-3-[[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[oxo-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[(1R)-2-keto-1-methyl-2-(propylamino)ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C

Isomeric SMILES

CCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O4/c1-6-11-22-18(25)14(2)23-19(26)17-12-15-9-7-8-10-16(15)13-24(17)20(27)28-21(3,4)5/h7-10,14,17H,6,11-13H2,1-5H3,(H,22,25)(H,23,26)/t14-,17+/m1/s1