tert-butyl (2R)-2-[[1-[(4-methylphenyl)sulfonylamino]cyclohexyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2R)-2-[[1-[(4-methylphenyl)sulfonylamino]cyclohexyl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (2R)-3-phenyl-2-[[1-(p-tolylsulfonylamino)cyclohexanecarbonyl]amino]propanoate CAS Name: (2R)-2-[[[1-[(4-methylphenyl)sulfonylamino]cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[[1-[(4-methylphenyl)sulfonylamino]cyclohexanecarbonyl]amino]-3-phenylpropanoate Traditional Name: (2R)-3-phenyl-2-[[1-(tosylamino)cyclohexanecarbonyl]amino]propionic acid tert-butyl ester Formula: C27H36N2O5S MolecularWeight: 500.65014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2(CCCCC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2(CCCCC2)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H36N2O5S/c1-20-13-15-22(16-14-20)35(32,33)29-27(17-9-6-10-18-27)25(31)28-23(24(30)34-26(2,3)4)19-21-11-7-5-8-12-21/h5,7-8,11-16,23,29H,6,9-10,17-19H2,1-4H3,(H,28,31)/t23-/m1/s1