7-[[1-methyl-5-[[1-methyl-5-[[1-methyl-4-[[1-methyl-4-[(4,6,8-trisulfonaphthalen-2-yl)carbamoyl]pyrrol-2-yl]carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 7-[[1-methyl-5-[[1-methyl-5-[[1-methyl-4-[[1-methyl-4-[(4,6,8-trisulfonaphthalen-2-yl)carbamoyl]pyrrol-2-yl]carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]naphthalene-1,3,5-trisulfonic acid Openeye Name: 7-[[1-methyl-5-[[1-methyl-5-[[1-methyl-4-[[1-methyl-4-[(4,6,8-trisulfo-2-naphthyl)carbamoyl]pyrrol-2-yl]carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]naphthalene-1,3,5-trisulfonic acid CAS Name: 7-[[[1-methyl-5-[[[1-methyl-5-[[[[1-methyl-4-[[[1-methyl-4-[oxo-[(4,6,8-trisulfo-2-naphthalenyl)amino]methyl]-2-pyrrolyl]amino]-oxomethyl]-2-pyrrolyl]amino]-oxomethyl]amino]-3-pyrrolyl]amino]-oxomethyl]-3-pyrrolyl]amino]-oxomethyl]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 7-[[1-methyl-5-[[1-methyl-5-[[1-methyl-4-[[1-methyl-4-[(4,6,8-trisulfonaphthalen-2-yl)carbamoyl]pyrrol-2-yl]carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]naphthalene-1,3,5-trisulfonic acid Traditional Name: 7-[[1-methyl-5-[[1-methyl-5-[[1-methyl-4-[[1-methyl-4-[(4,6,8-trisulfo-2-naphthyl)carbamoyl]pyrrol-2-yl]carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]naphthalene-1,3,5-trisulfonic acid Formula: C45H40N10O23S6 MolecularWeight: 1281.2423

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)NC(=O)NC3=CC(=CN3C)C(=O)NC4=CC(=CN4C)C(=O)NC5=CC(=C6C=C(C=C(C6=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C)NC(=O)C7=CC(=C8C=C(C=C(C8=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)NC(=O)NC3=CC(=CN3C)C(=O)NC4=CC(=CN4C)C(=O)NC5=CC(=C6C=C(C=C(C6=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C)NC(=O)C7=CC(=C8C=C(C=C(C8=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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