methyl (2R)-2-[[(2R)-1-methylsulfonyl-4-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2R)-1-methylsulfonyl-4-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2R)-1-methylsulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2R)-1-methylsulfonyl-4-[oxo(3-pyridinyl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-1-methylsulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2R)-1-mesyl-4-nicotinoyl-piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C16H22N4O6S MolecularWeight: 398.43408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1S(=O)(=O)C)C(=O)C2=CN=CC=C2

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@H]1CN(CCN1S(=O)(=O)C)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H22N4O6S/c1-11(16(23)26-2)18-14(21)13-10-19(7-8-20(13)27(3,24)25)15(22)12-5-4-6-17-9-12/h4-6,9,11,13H,7-8,10H2,1-3H3,(H,18,21)/t11-,13-/m1/s1