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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5/c1-14(2)9-10-22-21(28)23-18(25)13-29-20(27)17-11-19(26)24(12-17)15(3)16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3,(H2,22,23,25,28)/t15-,17+/m1/s1