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

Systemtic Name: methyl (2S)-3-cyclohexyl-2-[[(2S)-1-methylsulfonyl-4-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-cyclohexyl-2-[[(2S)-1-methylsulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2S)-3-cyclohexyl-2-[[[(2S)-1-methylsulfonyl-4-[oxo(3-pyridinyl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-cyclohexyl-2-[[(2S)-1-methylsulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2S)-3-cyclohexyl-2-[[(2S)-1-mesyl-4-nicotinoyl-piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C22H32N4O6S MolecularWeight: 480.57768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCCCC1)NC(=O)C2CN(CCN2S(=O)(=O)C)C(=O)C3=CN=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]2CN(CCN2S(=O)(=O)C)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H32N4O6S/c1-32-22(29)18(13-16-7-4-3-5-8-16)24-20(27)19-15-25(11-12-26(19)33(2,30)31)21(28)17-9-6-10-23-14-17/h6,9-10,14,16,18-19H,3-5,7-8,11-13,15H2,1-2H3,(H,24,27)/t18-,19-/m0/s1