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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC(=C3C=C(C=C(C3=C2)S(=O)(=O)O)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=CC(=C8C=C(C=C(C8=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C)C

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC(=C3C=C(C=C(C3=C2)S(=O)(=O)O)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=CC(=C8C=C(C=C(C8=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C)C

InChI

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