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

Systemtic Name: 4-[[1-methyl-5-[[1-methyl-5-[[1-methyl-4-[[1-methyl-4-[(6-methyl-4-sulfo-naphthalen-1-yl)carbamoyl]pyrrol-2-yl]carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrol-3-yl]carbonylamino]pyrrol-3-yl]carbonylamino]naphthalene-1,7-disulfonic acid Openeye Name: 4-[[1-methyl-5-[[1-methyl-5-[[1-methyl-4-[[1-methyl-4-[(6-methyl-4-sulfo-1-naphthyl)carbamoyl]pyrrol-2-yl]carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrole-3-carbonyl]amino]pyrrole-3-carbonyl]amino]naphthalene-1,7-disulfonic acid CAS Name: 4-[[[1-methyl-5-[[[1-methyl-5-[[[[1-methyl-4-[[[1-methyl-4-[[(6-methyl-4-sulfo-1-naphthalenyl)amino]-oxomethyl]-2-pyrrolyl]amino]-oxomethyl]-2-pyrrolyl]amino]-oxomethyl]amino]-3-pyrrolyl]-oxomethyl]amino]-3-pyrrolyl]-oxomethyl]amino]naphthalene-1,7-disulfonic acid IUPAC Name: 4-[[1-methyl-5-[[1-methyl-5-[[1-methyl-4-[[1-methyl-4-[(6-methyl-4-sulfonaphthalen-1-yl)carbamoyl]pyrrol-2-yl]carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrole-3-carbonyl]amino]pyrrole-3-carbonyl]amino]naphthalene-1,7-disulfonic acid Traditional Name: 4-[[1-methyl-5-[[1-methyl-5-[[1-methyl-4-[[1-methyl-4-[(6-methyl-4-sulfo-1-naphthyl)carbamoyl]pyrrol-2-yl]carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrole-3-carbonyl]amino]pyrrole-3-carbonyl]amino]naphthalene-1,7-disulfonic acid Formula: C46H42N10O14S3 MolecularWeight: 1055.07928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC(=C2C=C1)NC(=O)C3=CN(C(=C3)NC(=O)C4=CN(C(=C4)NC(=O)NC5=CC(=CN5C)C(=O)NC6=CC(=CN6C)C(=O)NC7=C8C=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)C)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC(=C2C=C1)NC(=O)C3=CN(C(=C3)NC(=O)C4=CN(C(=C4)NC(=O)NC5=CC(=CN5C)C(=O)NC6=CC(=CN6C)C(=O)NC7=C8C=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)C)C)S(=O)(=O)O

InChI

InChI=1S/C46H42N10O14S3/c1-24-6-8-30-32(14-24)36(72(65,66)67)12-10-34(30)47-42(57)25-15-38(53(2)20-25)49-44(59)27-17-40(55(4)22-27)51-46(61)52-41-18-28(23-56(41)5)45(60)50-39-16-26(21-54(39)3)43(58)48-35-11-13-37(73(68,69)70)33-19-29(71(62,63)64)7-9-31(33)35/h6-23H,1-5H3,(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H2,51,52,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)