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

Systemtic Name: methyl (2R)-2-[[(2S)-1-cyclohexylcarbonyl-4-methylsulfonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-methylsulfonyl-piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2S)-1-[cyclohexyl(oxo)methyl]-4-methylsulfonyl-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-methylsulfonylpiperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-mesyl-piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C17H29N3O6S MolecularWeight: 403.49366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2CCCCC2)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@@H]1CN(CCN1C(=O)C2CCCCC2)S(=O)(=O)C

InChI

InChI=1S/C17H29N3O6S/c1-12(17(23)26-2)18-15(21)14-11-19(27(3,24)25)9-10-20(14)16(22)13-7-5-4-6-8-13/h12-14H,4-11H2,1-3H3,(H,18,21)/t12-,14+/m1/s1