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

Systemtic Name: methyl (2R)-2-[[(2R)-1-(phenylsulfonyl)-4-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2R)-1-(benzenesulfonyl)-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2R)-1-(benzenesulfonyl)-4-[oxo(3-pyridinyl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-1-(benzenesulfonyl)-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2R)-1-besyl-4-nicotinoyl-piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@H]1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H24N4O6S/c1-15(21(28)31-2)23-19(26)18-14-24(20(27)16-7-6-10-22-13-16)11-12-25(18)32(29,30)17-8-4-3-5-9-17/h3-10,13,15,18H,11-12,14H2,1-2H3,(H,23,26)/t15-,18-/m1/s1