[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)NC2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)NC2CCCCCC2

InChI

InChI=1S/C20H30N2O5S/c1-15-9-11-18(12-10-15)28(25,26)21-14-13-19(23)27-16(2)20(24)22-17-7-5-3-4-6-8-17/h9-12,16-17,21H,3-8,13-14H2,1-2H3,(H,22,24)/t16-/m1/s1