[(2R)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1R)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2R)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1R)-2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C21H19N3O5/c1-13(18(25)24-21(28)22-12-14-7-3-2-4-8-14)29-20(27)17-11-15-9-5-6-10-16(15)19(26)23-17/h2-11,13H,12H2,1H3,(H,23,26)(H2,22,24,25,28)/t13-/m1/s1