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

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (3S)-1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1CC(=O)N(C1)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(C1)C2=CC=CC=C2OC

InChI

InChI=1S/C20H27N3O6/c1-13(2)8-9-21-20(27)22-17(24)12-29-19(26)14-10-18(25)23(11-14)15-6-4-5-7-16(15)28-3/h4-7,13-14H,8-12H2,1-3H3,(H2,21,22,24,27)/t14-/m0/s1