3-[2-[[2-(3-carboxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]disulfanyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid

Systemtic Name: 3-[2-[[2-(3-carboxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]disulfanyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid Openeye Name: 3-[1-(tert-butoxycarbonylamino)-2-[[2-(tert-butoxycarbonylamino)-2-(3-carboxyphenyl)ethyl]disulfanyl]ethyl]benzoic acid CAS Name: 3-[2-[[2-(3-carboxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]disulfanyl]-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 3-[2-[[2-(3-carboxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]disulfanyl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid Traditional Name: 3-[1-(tert-butoxycarbonylamino)-2-[[2-(tert-butoxycarbonylamino)-2-(3-carboxyphenyl)ethyl]disulfanyl]ethyl]benzoic acid Formula: C28H36N2O8S2 MolecularWeight: 592.72404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSSCC(C1=CC=CC(=C1)C(=O)O)NC(=O)OC(C)(C)C)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSSCC(C1=CC=CC(=C1)C(=O)O)NC(=O)OC(C)(C)C)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C28H36N2O8S2/c1-27(2,3)37-25(35)29-21(17-9-7-11-19(13-17)23(31)32)15-39-40-16-22(30-26(36)38-28(4,5)6)18-10-8-12-20(14-18)24(33)34/h7-14,21-22H,15-16H2,1-6H3,(H,29,35)(H,30,36)(H,31,32)(H,33,34)