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

Systemtic Name: methyl (2R)-2-[[(2R)-1-methylsulfonyl-4-(phenylcarbamoyl)piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2R)-1-methylsulfonyl-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2R)-4-[anilino(oxo)methyl]-1-methylsulfonyl-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-1-methylsulfonyl-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2R)-1-mesyl-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C17H24N4O6S MolecularWeight: 412.46066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1S(=O)(=O)C)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@H]1CN(CCN1S(=O)(=O)C)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C17H24N4O6S/c1-12(16(23)27-2)18-15(22)14-11-20(9-10-21(14)28(3,25)26)17(24)19-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,22)(H,19,24)/t12-,14-/m1/s1