(phenylmethyl) (2S)-1-[(E)-4-oxidanylidene-4-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]but-2-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(E)-4-oxidanylidene-4-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]but-2-enoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(E)-4-[(2S)-2-benzyloxycarbonylpyrrolidin-1-yl]-4-oxo-but-2-enoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(E)-1,4-dioxo-4-[(2S)-2-phenylmethoxycarbonyl-1-pyrrolidinyl]but-2-enyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(E)-4-oxo-4-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]but-2-enoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(E)-4-[(2S)-2-carbobenzoxypyrrolidino]-4-keto-but-2-enoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC(=O)N2CCCC2C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)/C=C/C(=O)N2CCC[C@H]2C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O6/c31-25(29-17-7-13-23(29)27(33)35-19-21-9-3-1-4-10-21)15-16-26(32)30-18-8-14-24(30)28(34)36-20-22-11-5-2-6-12-22/h1-6,9-12,15-16,23-24H,7-8,13-14,17-20H2/b16-15+/t23-,24-/m0/s1