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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (3S)-1-[(2-methoxyphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) (3S)-1-[(2-methoxybenzoyl)amino]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[[(2-methoxyphenyl)-oxomethyl]amino]-5-oxo-3-pyrrolidinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (3S)-1-[(2-methoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(o-anisoylamino)pyrrolidine-3-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C21H21N3O6 MolecularWeight: 411.40794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NN2CC(CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NN2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O6/c1-29-17-10-6-5-9-16(17)20(27)23-24-12-14(11-19(24)26)21(28)30-13-18(25)22-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,22,25)(H,23,27)/t14-/m0/s1