2-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[tert-butoxycarbonyl-[3-(tert-butoxycarbonylamino)propyl]amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]amino]ethyl ester IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[tert-butoxycarbonyl-[3-(tert-butoxycarbonylamino)propyl]amino]ethyl ester Formula: C22H36N2O7S MolecularWeight: 472.59544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H36N2O7S/c1-17-9-11-18(12-10-17)32(27,28)29-16-15-24(20(26)31-22(5,6)7)14-8-13-23-19(25)30-21(2,3)4/h9-12H,8,13-16H2,1-7H3,(H,23,25)