(2S)-1-(4-dimethylaminophenyl)carbonyl-4-(1-methylpyrrol-2-yl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazine-2-carboxamide

Systemtic Name: (2S)-1-(4-dimethylaminophenyl)carbonyl-4-(1-methylpyrrol-2-yl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazine-2-carboxamide Openeye Name: (2S)-1-[4-(dimethylamino)benzoyl]-4-(1-methylpyrrole-2-carbonyl)-N-[(3S)-2-oxo-3-piperidyl]piperazine-2-carboxamide CAS Name: (2S)-1-[(4-dimethylaminophenyl)-oxomethyl]-4-[(1-methyl-2-pyrrolyl)-oxomethyl]-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazinecarboxamide IUPAC Name: (2S)-1-[4-(dimethylamino)benzoyl]-4-(1-methylpyrrole-2-carbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide Traditional Name: (2S)-1-[4-(dimethylamino)benzoyl]-N-[(3S)-2-keto-3-piperidyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-2-carboxamide Formula: C25H32N6O4 MolecularWeight: 480.55938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCN(C(C2)C(=O)NC3CCCNC3=O)C(=O)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCN([C@@H](C2)C(=O)N[C@H]3CCCNC3=O)C(=O)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C25H32N6O4/c1-28(2)18-10-8-17(9-11-18)24(34)31-15-14-30(25(35)20-7-5-13-29(20)3)16-21(31)23(33)27-19-6-4-12-26-22(19)32/h5,7-11,13,19,21H,4,6,12,14-16H2,1-3H3,(H,26,32)(H,27,33)/t19-,21-/m0/s1