(2S)-1-(3,3-dimethylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidin-2-yl]carbonylamino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(3,3-dimethylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidin-2-yl]carbonylamino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(3,3-dimethylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(3,3-dimethyl-1-oxobutyl)-N-[4-[(E)-2-[4-[[[(2S)-1-(3,3-dimethyl-1-oxobutyl)-2-pyrrolidinyl]-oxomethyl]amino]phenyl]ethenyl]phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(3,3-dimethylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(3,3-dimethylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3,3-dimethylbutanoyl)prolyl]amino]phenyl]vinyl]phenyl]pyrrolidine-2-carboxamide Formula: C36H48N4O4 MolecularWeight: 600.79072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)C=CC3=CC=C(C=C3)NC(=O)C4CCCN4C(=O)CC(C)(C)C

Isomeric SMILES

CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)NC(=O)[C@@H]4CCCN4C(=O)CC(C)(C)C

InChI

InChI=1S/C36H48N4O4/c1-35(2,3)23-31(41)39-21-7-9-29(39)33(43)37-27-17-13-25(14-18-27)11-12-26-15-19-28(20-16-26)38-34(44)30-10-8-22-40(30)32(42)24-36(4,5)6/h11-20,29-30H,7-10,21-24H2,1-6H3,(H,37,43)(H,38,44)/b12-11+/t29-,30-/m0/s1