[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (3R)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (3R)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (3R)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC(=O)NCCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)OCC(=O)NC(=O)NCCC(C)C

InChI

InChI=1S/C21H29N3O5/c1-4-15-5-7-17(8-6-15)24-12-16(11-19(24)26)20(27)29-13-18(25)23-21(28)22-10-9-14(2)3/h5-8,14,16H,4,9-13H2,1-3H3,(H2,22,23,25,28)/t16-/m1/s1