4-[[1-methyl-5-[[1-methyl-5-[[1-methyl-4-[[1-methyl-4-[(3,6,7-trisulfonatonaphthalen-1-yl)carbamoyl]pyrrol-2-yl]carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrol-3-yl]carbonylamino]pyrrol-3-yl]carbonylamino]naphthalene-1,6,7-trisulfonate

Systemtic Name: 4-[[1-methyl-5-[[1-methyl-5-[[1-methyl-4-[[1-methyl-4-[(3,6,7-trisulfonatonaphthalen-1-yl)carbamoyl]pyrrol-2-yl]carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrol-3-yl]carbonylamino]pyrrol-3-yl]carbonylamino]naphthalene-1,6,7-trisulfonate Openeye Name: 4-[[1-methyl-5-[[1-methyl-5-[[1-methyl-4-[[1-methyl-4-[(3,6,7-trisulfonato-1-naphthyl)carbamoyl]pyrrol-2-yl]carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrole-3-carbonyl]amino]pyrrole-3-carbonyl]amino]naphthalene-1,6,7-trisulfonate CAS Name: 4-[[[1-methyl-5-[[[1-methyl-5-[[[[1-methyl-4-[[[1-methyl-4-[oxo-[(3,6,7-trisulfonato-1-naphthalenyl)amino]methyl]-2-pyrrolyl]amino]-oxomethyl]-2-pyrrolyl]amino]-oxomethyl]amino]-3-pyrrolyl]-oxomethyl]amino]-3-pyrrolyl]-oxomethyl]amino]naphthalene-1,6,7-trisulfonate IUPAC Name: 4-[[1-methyl-5-[[1-methyl-5-[[1-methyl-4-[[1-methyl-4-[(3,6,7-trisulfonatonaphthalen-1-yl)carbamoyl]pyrrol-2-yl]carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrole-3-carbonyl]amino]pyrrole-3-carbonyl]amino]naphthalene-1,6,7-trisulfonate Traditional Name: 4-[[1-methyl-5-[[1-methyl-5-[[1-methyl-4-[[1-methyl-4-[(3,6,7-trisulfonato-1-naphthyl)carbamoyl]pyrrol-2-yl]carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrole-3-carbonyl]amino]pyrrole-3-carbonyl]amino]naphthalene-1,6,7-trisulfonate Formula: C45H34N10O23S6-6 MolecularWeight: 1275.19466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1NC(=O)C2=CN(C(=C2)NC(=O)NC3=CC(=CN3C)C(=O)NC4=CC(=CN4C)C(=O)NC5=C6C=C(C(=CC6=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C)C(=O)NC7=C8C=C(C(=CC8=C(C=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CN1C=C(C=C1NC(=O)C2=CN(C(=C2)NC(=O)NC3=CC(=CN3C)C(=O)NC4=CC(=CN4C)C(=O)NC5=C6C=C(C(=CC6=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C)C(=O)NC7=C8C=C(C(=CC8=C(C=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C45H40N10O23S6/c1-52-17-22(41(56)46-30-5-6-32(80(64,65)66)29-16-36(84(76,77)78)35(15-28(29)30)83(73,74)75)9-37(52)48-43(58)24-11-39(54(3)19-24)50-45(60)51-40-12-25(20-55(40)4)44(59)49-38-10-23(18-53(38)2)42(57)47-31-13-26(79(61,62)63)7-21-8-33(81(67,68)69)34(14-27(21)31)82(70,71)72/h5-20H,1-4H3,(H,46,56)(H,47,57)(H,48,58)(H,49,59)(H2,50,51,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)/p-6