[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(isoamylcarbamoylamino)-2-keto-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)OCC(=O)NC(=O)NCCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5/c1-13(2)8-9-22-21(28)23-18(25)12-29-20(27)16-10-19(26)24(11-16)17-7-5-6-14(3)15(17)4/h5-7,13,16H,8-12H2,1-4H3,(H2,22,23,25,28)/t16-/m0/s1