1-[2-[2-[1-(3-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxidanylidene-propan-2-yl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]ethyl]-N-(1-azanyl-1-oxidanylidene-butan-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[2-[1-(3-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxidanylidene-propan-2-yl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]ethyl]-N-(1-azanyl-1-oxidanylidene-butan-2-yl)piperidine-4-carboxamide Openeye Name: 1-[2-[2-[2-(3-azabicyclo[2.2.1]heptan-7-yl)-1,1-dimethyl-2-oxo-ethyl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]ethyl]-N-(1-carbamoylpropyl)piperidine-4-carboxamide CAS Name: N-(1-amino-1-oxobutan-2-yl)-1-[2-[2-[1-(3-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxopropan-2-yl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]ethyl]-4-piperidinecarboxamide IUPAC Name: N-(1-amino-1-oxobutan-2-yl)-1-[2-[2-[1-(3-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxopropan-2-yl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]ethyl]piperidine-4-carboxamide Traditional Name: 1-[2-[2-[2-(3-azabicyclo[2.2.1]heptan-7-yl)-2-keto-1,1-dimethyl-ethyl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]ethyl]-N-(1-carbamoylpropyl)isonipecotamide Formula: C36H49N5O3S MolecularWeight: 631.87096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)NC(=O)C1CCN(CC1)CCC2=C(NC3=C2C=C(S3)C(C)(C)C(=O)C4C5CCC4NC5)C6=CC(=CC(=C6)C)C

Isomeric SMILES

CCC(C(=O)N)NC(=O)C1CCN(CC1)CCC2=C(NC3=C2C=C(S3)C(C)(C)C(=O)C4C5CCC4NC5)C6=CC(=CC(=C6)C)C

InChI

InChI=1S/C36H49N5O3S/c1-6-27(33(37)43)39-34(44)22-9-12-41(13-10-22)14-11-25-26-18-29(36(4,5)32(42)30-23-7-8-28(30)38-19-23)45-35(26)40-31(25)24-16-20(2)15-21(3)17-24/h15-18,22-23,27-28,30,38,40H,6-14,19H2,1-5H3,(H2,37,43)(H,39,44)