4-azanyloxycarbonyl-1-[1-[2-(hydroxymethyl)pyridin-4-yl]piperidin-4-yl]-2-methyl-6-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 4-azanyloxycarbonyl-1-[1-[2-(hydroxymethyl)pyridin-4-yl]piperidin-4-yl]-2-methyl-6-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 4-aminooxycarbonyl-1-[1-[2-(hydroxymethyl)-4-pyridyl]-4-piperidyl]-2-methyl-6-oxo-piperazine-2-carboxylic acid CAS Name: 4-[aminooxy(oxo)methyl]-1-[1-[2-(hydroxymethyl)-4-pyridinyl]-4-piperidinyl]-2-methyl-6-oxo-2-piperazinecarboxylic acid IUPAC Name: 4-aminooxycarbonyl-1-[1-[2-(hydroxymethyl)pyridin-4-yl]piperidin-4-yl]-2-methyl-6-oxopiperazine-2-carboxylic acid Traditional Name: 4-aminooxycarbonyl-6-keto-2-methyl-1-[1-(2-methylol-4-pyridyl)-4-piperidyl]piperazine-2-carboxylic acid Formula: C18H25N5O6 MolecularWeight: 407.421

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1C2CCN(CC2)C3=CC(=NC=C3)CO)C(=O)ON)C(=O)O

Isomeric SMILES

CC1(CN(CC(=O)N1C2CCN(CC2)C3=CC(=NC=C3)CO)C(=O)ON)C(=O)O

InChI

InChI=1S/C18H25N5O6/c1-18(16(26)27)11-22(17(28)29-19)9-15(25)23(18)13-3-6-21(7-4-13)14-2-5-20-12(8-14)10-24/h2,5,8,13,24H,3-4,6-7,9-11,19H2,1H3,(H,26,27)