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

Systemtic Name: methyl (2R)-2-[[(2S)-4-methylsulfonyl-1-piperidin-4-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-4-methylsulfonyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2S)-4-methylsulfonyl-1-[oxo(4-piperidinyl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-4-methylsulfonyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-1-isonipecotoyl-4-mesyl-piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C16H28N4O6S MolecularWeight: 404.48172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2CCNCC2)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@@H]1CN(CCN1C(=O)C2CCNCC2)S(=O)(=O)C

InChI

InChI=1S/C16H28N4O6S/c1-11(16(23)26-2)18-14(21)13-10-19(27(3,24)25)8-9-20(13)15(22)12-4-6-17-7-5-12/h11-13,17H,4-10H2,1-3H3,(H,18,21)/t11-,13+/m1/s1