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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (3S)-1-[(3-methylphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) (3S)-1-[(3-methylbenzoyl)amino]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[[(3-methylphenyl)-oxomethyl]amino]-5-oxo-3-pyrrolidinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (3S)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(m-toluoylamino)pyrrolidine-3-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NN2CC(CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NN2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-14-6-5-7-15(10-14)20(27)23-24-12-16(11-19(24)26)21(28)29-13-18(25)22-17-8-3-2-4-9-17/h2-10,16H,11-13H2,1H3,(H,22,25)(H,23,27)/t16-/m0/s1