[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (3R)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (3R)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (3R)-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C[C@@H](CC2=O)C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)C

InChI

InChI=1S/C21H29N3O5/c1-12-8-7-9-16(13(12)2)24-11-15(10-17(24)25)19(27)29-14(3)18(26)22-20(28)23-21(4,5)6/h7-9,14-15H,10-11H2,1-6H3,(H2,22,23,26,28)/t14-,15-/m1/s1