(phenylmethyl) N-[(2S)-1-[(1S)-1-aminocarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(1S)-1-aminocarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-[(1S)-1-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[(1S)-1-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[(1S)-1-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[(1S)-1-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1C(=O)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C2[C@H]1C(=O)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-14(23-21(27)28-13-15-7-3-2-4-8-15)20(26)24-12-11-16-9-5-6-10-17(16)18(24)19(22)25/h2-10,14,18H,11-13H2,1H3,(H2,22,25)(H,23,27)/t14-,18-/m0/s1