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

Systemtic Name: 8-methyl-2-[[1-methyl-4-[[1-methyl-5-[(4,5,7-trisulfonaphthalen-1-yl)carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrol-3-yl]carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-methyl-2-[[1-methyl-4-[[1-methyl-5-[(4,5,7-trisulfo-1-naphthyl)carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrole-3-carbonyl]amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-methyl-2-[[[1-methyl-4-[[[[1-methyl-5-[oxo-[(4,5,7-trisulfo-1-naphthalenyl)amino]methyl]-2-pyrrolyl]amino]-oxomethyl]amino]-3-pyrrolyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-methyl-2-[[1-methyl-4-[[1-methyl-5-[(4,5,7-trisulfonaphthalen-1-yl)carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrole-3-carbonyl]amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-methyl-2-[[1-methyl-4-[[1-methyl-5-[(4,5,7-trisulfo-1-naphthyl)carbamoyl]pyrrol-2-yl]carbamoylamino]pyrrole-3-carbonyl]amino]naphthalene-1,3,5-trisulfonic acid Formula: C34H30N6O21S6 MolecularWeight: 1051.0196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)S(=O)(=O)O)C=C(C(=C2S(=O)(=O)O)NC(=O)C3=CN(C=C3NC(=O)NC4=CC=C(N4C)C(=O)NC5=C6C=C(C=C(C6=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C)S(=O)(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)S(=O)(=O)O)C=C(C(=C2S(=O)(=O)O)NC(=O)C3=CN(C=C3NC(=O)NC4=CC=C(N4C)C(=O)NC5=C6C=C(C=C(C6=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C)S(=O)(=O)O

InChI

InChI=1S/C34H30N6O21S6/c1-15-4-7-23(63(47,48)49)18-12-26(66(56,57)58)30(31(28(15)18)67(59,60)61)38-32(41)19-13-39(2)14-21(19)36-34(43)37-27-9-6-22(40(27)3)33(42)35-20-5-8-24(64(50,51)52)29-17(20)10-16(62(44,45)46)11-25(29)65(53,54)55/h4-14H,1-3H3,(H,35,42)(H,38,41)(H2,36,37,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)