dimethyl (2S)-2-[[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]carbonylamino]butanedioate

Systemtic Name: dimethyl (2S)-2-[[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]carbonylamino]butanedioate Openeye Name: dimethyl (2S)-2-[[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carbonyl]amino]butanedioate CAS Name: (2S)-2-[[oxo-[(2S)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-2-pyrrolidinyl]methyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carbonyl]amino]butanedioate Traditional Name: (2S)-2-[[(2S)-1-[(E)-3-phenylacryloyl]prolyl]amino]succinic acid dimethyl ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)NC(=O)C1CCCN1C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C[C@@H](C(=O)OC)NC(=O)[C@@H]1CCCN1C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H24N2O6/c1-27-18(24)13-15(20(26)28-2)21-19(25)16-9-6-12-22(16)17(23)11-10-14-7-4-3-5-8-14/h3-5,7-8,10-11,15-16H,6,9,12-13H2,1-2H3,(H,21,25)/b11-10+/t15-,16-/m0/s1