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

Systemtic Name: 3-[3-[[3-(3-carboxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]disulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoic acid Openeye Name: 3-[2-(tert-butoxycarbonylamino)-3-[[2-(tert-butoxycarbonylamino)-3-(3-carboxyphenyl)propyl]disulfanyl]propyl]benzoic acid CAS Name: 3-[3-[[3-(3-carboxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]disulfanyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]benzoic acid IUPAC Name: 3-[3-[[3-(3-carboxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]disulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoic acid Traditional Name: 3-[2-(tert-butoxycarbonylamino)-3-[[2-(tert-butoxycarbonylamino)-3-(3-carboxyphenyl)propyl]disulfanyl]propyl]benzoic acid Formula: C30H40N2O8S2 MolecularWeight: 620.7772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC(=C1)C(=O)O)CSSCC(CC2=CC=CC(=C2)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC(=C1)C(=O)O)CSSCC(CC2=CC=CC(=C2)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H40N2O8S2/c1-29(2,3)39-27(37)31-23(15-19-9-7-11-21(13-19)25(33)34)17-41-42-18-24(32-28(38)40-30(4,5)6)16-20-10-8-12-22(14-20)26(35)36/h7-14,23-24H,15-18H2,1-6H3,(H,31,37)(H,32,38)(H,33,34)(H,35,36)