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

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

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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(=CC(=C5)S(=O)(=O)O)C=C(C=C6S(=O)(=O)O)S(=O)(=O)O)C)C(=O)NC7=C8C(=CC(=C7)S(=O)(=O)O)C=C(C=C8S(=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(=CC(=C5)S(=O)(=O)O)C=C(C=C6S(=O)(=O)O)S(=O)(=O)O)C)C(=O)NC7=C8C(=CC(=C7)S(=O)(=O)O)C=C(C=C8S(=O)(=O)O)S(=O)(=O)O

InChI

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