[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-15-10-11-16(2)19(14-15)29(26,27)22-13-12-20(24)28-17(3)21(25)23-18-8-6-4-5-7-9-18/h10-11,14,17-18,22H,4-9,12-13H2,1-3H3,(H,23,25)/t17-/m1/s1