4-[[4-[[5-[[5-[[5-[(4,8-disulfonaphthalen-1-yl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1H-pyrrol-2-yl]carbamoylamino]-1H-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,5-disulfonic acid

Systemtic Name: 4-[[4-[[5-[[5-[[5-[(4,8-disulfonaphthalen-1-yl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1H-pyrrol-2-yl]carbamoylamino]-1H-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,5-disulfonic acid Openeye Name: 4-[[4-[[5-[[5-[[5-[(4,8-disulfo-1-naphthyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1H-pyrrol-2-yl]carbamoylamino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,5-disulfonic acid CAS Name: 4-[[[4-[[[5-[[[[5-[[[5-[[(4,8-disulfo-1-naphthalenyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1H-pyrrol-2-yl]amino]-oxomethyl]amino]-1H-pyrrol-2-yl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 4-[[4-[[5-[[5-[[5-[(4,8-disulfonaphthalen-1-yl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1H-pyrrol-2-yl]carbamoylamino]-1H-pyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]naphthalene-1,5-disulfonic acid Traditional Name: 4-[[4-[[5-[[5-[[5-[(4,8-disulfo-1-naphthyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1H-pyrrol-2-yl]carbamoylamino]-1H-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,5-disulfonic acid Formula: C43H36N10O17S4 MolecularWeight: 1093.06274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3S(=O)(=O)O)NC(=O)C4=CC=C(N4)NC(=O)NC5=CC=C(N5)C(=O)NC6=CN(C(=C6)C(=O)NC7=C8C(=C(C=C7)S(=O)(=O)O)C=CC=C8S(=O)(=O)O)C

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3S(=O)(=O)O)NC(=O)C4=CC=C(N4)NC(=O)NC5=CC=C(N5)C(=O)NC6=CN(C(=C6)C(=O)NC7=C8C(=C(C=C7)S(=O)(=O)O)C=CC=C8S(=O)(=O)O)C

InChI

InChI=1S/C43H36N10O17S4/c1-52-19-21(17-29(52)41(56)48-25-9-13-31(71(59,60)61)23-5-3-7-33(37(23)25)73(65,66)67)44-39(54)27-11-15-35(46-27)50-43(58)51-36-16-12-28(47-36)40(55)45-22-18-30(53(2)20-22)42(57)49-26-10-14-32(72(62,63)64)24-6-4-8-34(38(24)26)74(68,69)70/h3-20,46-47H,1-2H3,(H,44,54)(H,45,55)(H,48,56)(H,49,57)(H2,50,51,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)