4-[[4-[[4-[[5-[[5-[(4,6-disulfonaphthalen-1-yl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,7-disulfonic acid; sodium

Systemtic Name: 4-[[4-[[4-[[5-[[5-[(4,6-disulfonaphthalen-1-yl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,7-disulfonic acid; sodium Openeye Name: 4-[[4-[[4-[[5-[[5-[(4,6-disulfo-1-naphthyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,7-disulfonic acid; sodium CAS Name: 4-[[[4-[[[4-[[[[5-[[[5-[[(4,6-disulfo-1-naphthalenyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]naphthalene-1,7-disulfonic acid; sodium IUPAC Name: 4-[[4-[[4-[[5-[[5-[(4,6-disulfonaphthalen-1-yl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]naphthalene-1,7-disulfonic acid; sodium Traditional Name: 4-[[4-[[4-[[5-[[5-[(4,6-disulfo-1-naphthyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,7-disulfonic acid; sodium Formula: C45H40N10NaO17S4 MolecularWeight: 1144.10567

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=C3C=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CN4C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=C8C=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)C)C.[Na]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=C3C=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CN4C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=C8C=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)C)C.[Na]

InChI

InChI=1S/C45H40N10O17S4.Na/c1-52-19-23(13-37(52)43(58)50-33-9-11-39(75(67,68)69)31-17-27(73(61,62)63)5-7-29(31)33)46-41(56)35-15-25(21-54(35)3)48-45(60)49-26-16-36(55(4)22-26)42(57)47-24-14-38(53(2)20-24)44(59)51-34-10-12-40(76(70,71)72)32-18-28(74(64,65)66)6-8-30(32)34;/h5-22H,1-4H3,(H,46,56)(H,47,57)(H,50,58)(H,51,59)(H2,48,49,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);