methyl 2-[[4-[2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanylpropanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[4-[2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanylpropanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[[4-[2-[(6-methoxy-3-nitro-2-pyridyl)sulfanyl]propanoylamino]piperidine-4-carbonyl]amino]propanoate CAS Name: 3-hydroxy-2-[[[4-[[2-[(6-methoxy-3-nitro-2-pyridinyl)thio]-1-oxopropyl]amino]-4-piperidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[4-[2-(6-methoxy-3-nitropyridin-2-yl)sulfanylpropanoylamino]piperidine-4-carbonyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[4-[2-[(6-methoxy-3-nitro-2-pyridyl)thio]propanoylamino]isonipecotoyl]amino]propionic acid methyl ester Formula: C19H27N5O8S MolecularWeight: 485.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCNCC1)C(=O)NC(CO)C(=O)OC)SC2=C(C=CC(=N2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1(CCNCC1)C(=O)NC(CO)C(=O)OC)SC2=C(C=CC(=N2)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O8S/c1-11(33-16-13(24(29)30)4-5-14(22-16)31-2)15(26)23-19(6-8-20-9-7-19)18(28)21-12(10-25)17(27)32-3/h4-5,11-12,20,25H,6-10H2,1-3H3,(H,21,28)(H,23,26)