[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (3S)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-3-carboxylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6/c1-13(2)7-8-22-21(28)23-18(25)12-30-20(27)15-10-19(26)24(11-15)16-9-14(3)5-6-17(16)29-4/h5-6,9,13,15H,7-8,10-12H2,1-4H3,(H2,22,23,25,28)/t15-/m0/s1