1-[4-[2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanylpropanoylamino]piperidin-4-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanylpropanoylamino]piperidin-4-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[2-[(6-methoxy-3-nitro-2-pyridyl)sulfanyl]propanoylamino]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-[[2-[(6-methoxy-3-nitro-2-pyridinyl)thio]-1-oxopropyl]amino]-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[2-(6-methoxy-3-nitropyridin-2-yl)sulfanylpropanoylamino]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[2-[(6-methoxy-3-nitro-2-pyridyl)thio]propanoylamino]isonipecotoyl]proline Formula: C20H27N5O7S MolecularWeight: 481.52268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCNCC1)C(=O)N2CCCC2C(=O)O)SC3=C(C=CC(=N3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1(CCNCC1)C(=O)N2CCCC2C(=O)O)SC3=C(C=CC(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O7S/c1-12(33-17-13(25(30)31)5-6-15(22-17)32-2)16(26)23-20(7-9-21-10-8-20)19(29)24-11-3-4-14(24)18(27)28/h5-6,12,14,21H,3-4,7-11H2,1-2H3,(H,23,26)(H,27,28)