(2Z)-2-[[1-bis(fluoranyl)boranyl-5-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-3,5-dimethyl-4-[3-oxidanylidene-3-[5-(2-sulfosulfanylethanoylamino)pentylamino]propyl]pyrrole

Systemtic Name: (2Z)-2-[[1-bis(fluoranyl)boranyl-5-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-3,5-dimethyl-4-[3-oxidanylidene-3-[5-(2-sulfosulfanylethanoylamino)pentylamino]propyl]pyrrole Openeye Name: (2Z)-2-[[1-difluoroboranyl-5-(4-methoxyphenyl)pyrrol-2-yl]methylene]-3,5-dimethyl-4-[3-oxo-3-[5-[(2-sulfosulfanylacetyl)amino]pentylamino]propyl]pyrrole CAS Name: (2Z)-2-[[1-difluoroboranyl-5-(4-methoxyphenyl)-2-pyrrolyl]methylidene]-3,5-dimethyl-4-[3-oxo-3-[5-[[1-oxo-2-(sulfothio)ethyl]amino]pentylamino]propyl]pyrrole IUPAC Name: (2Z)-2-[[1-difluoroboranyl-5-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-3,5-dimethyl-4-[3-oxo-3-[5-[(2-sulfosulfanylacetyl)amino]pentylamino]propyl]pyrrole Traditional Name: (2Z)-2-[[1-difluoroboranyl-5-(4-methoxyphenyl)pyrrol-2-yl]methylene]-4-[3-keto-3-[5-[[2-(sulfothio)acetyl]amino]pentylamino]propyl]-3,5-dimethyl-pyrrole Formula: C28H35BF2N4O6S2 MolecularWeight: 636.538506

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Descriptors Computed from Structure

Canonical SMILES:

B(N1C(=CC=C1C2=CC=C(C=C2)OC)C=C3C(=C(C(=N3)C)CCC(=O)NCCCCCNC(=O)CSS(=O)(=O)O)C)(F)F

Isomeric SMILES

B(N1C(=CC=C1C2=CC=C(C=C2)OC)/C=C\3/C(=C(C(=N3)C)CCC(=O)NCCCCCNC(=O)CSS(=O)(=O)O)C)(F)F

InChI

InChI=1S/C28H35BF2N4O6S2/c1-19-24(12-14-27(36)32-15-5-4-6-16-33-28(37)18-42-43(38,39)40)20(2)34-25(19)17-22-9-13-26(35(22)29(30)31)21-7-10-23(41-3)11-8-21/h7-11,13,17H,4-6,12,14-16,18H2,1-3H3,(H,32,36)(H,33,37)(H,38,39,40)/b25-17-