(2S)-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-piperidin-1-ium-4-ylcarbonyl-4-pyrimidin-5-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: (2S)-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-piperidin-1-ium-4-ylcarbonyl-4-pyrimidin-5-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-N-[(3S)-2-oxo-3-piperidyl]-1-(piperidin-1-ium-4-carbonyl)-4-(pyrimidine-5-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-1-[oxo(4-piperidin-1-iumyl)methyl]-N-[(3S)-2-oxo-3-piperidinyl]-4-[oxo(5-pyrimidinyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-N-[(3S)-2-oxopiperidin-3-yl]-1-(piperidin-1-ium-4-carbonyl)-4-(pyrimidine-5-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(3S)-2-keto-3-piperidyl]-1-(piperidin-1-ium-4-carbonyl)-4-(pyrimidine-5-carbonyl)piperazine-2-carboxamide Formula: C21H30N7O4+ MolecularWeight: 444.5074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)NC(=O)C2CN(CCN2C(=O)C3CC[NH2+]CC3)C(=O)C4=CN=CN=C4

Isomeric SMILES

C1C[C@@H](C(=O)NC1)NC(=O)[C@@H]2CN(CCN2C(=O)C3CC[NH2+]CC3)C(=O)C4=CN=CN=C4

InChI

InChI=1S/C21H29N7O4/c29-18-16(2-1-5-25-18)26-19(30)17-12-27(20(31)15-10-23-13-24-11-15)8-9-28(17)21(32)14-3-6-22-7-4-14/h10-11,13-14,16-17,22H,1-9,12H2,(H,25,29)(H,26,30)/p+1/t16-,17-/m0/s1