(phenylmethyl) (2S)-2-[[(3S)-1-(2-ethoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[(3S)-1-(2-ethoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[(3S)-1-(2-ethoxy-2-oxo-ethyl)-5-oxo-pyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(3S)-1-(2-ethoxy-2-oxoethyl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(3S)-1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(3S)-1-(2-ethoxy-2-keto-ethyl)-5-keto-pyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CC(CC1=O)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C[C@H](CC1=O)NC(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O6/c1-2-29-19(26)13-23-12-16(11-18(23)25)22-20(27)17-9-6-10-24(17)21(28)30-14-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3,(H,22,27)/t16-,17-/m0/s1