N-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-[7-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-4-[(4-methyl-1,3-thiazol-5-yl)carbonylamino]imidazol-1-yl]heptyl]imidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-[7-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-4-[(4-methyl-1,3-thiazol-5-yl)carbonylamino]imidazol-1-yl]heptyl]imidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide Openeye Name: N-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-[7-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-4-[(4-methylthiazole-5-carbonyl)amino]imidazol-1-yl]heptyl]imidazol-4-yl]-4-methyl-thiazole-5-carboxamide CAS Name: N-[2-[[[5-[[3-(dimethylamino)propylamino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-[7-[2-[[[5-[[3-(dimethylamino)propylamino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-4-[[(4-methyl-5-thiazolyl)-oxomethyl]amino]-1-imidazolyl]heptyl]-4-imidazolyl]-4-methyl-5-thiazolecarboxamide IUPAC Name: N-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-[7-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]imidazol-1-yl]heptyl]imidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-[7-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-4-[(4-methylthiazole-5-carbonyl)amino]imidazol-1-yl]heptyl]imidazol-4-yl]-4-methyl-thiazole-5-carboxamide Formula: C47H64N16O6S2 MolecularWeight: 1013.24466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)CCCCCCCN4C=C(N=C4C(=O)NC5=CN(C(=C5)C(=O)NCCCN(C)C)C)NC(=O)C6=C(N=CS6)C

Isomeric SMILES

CC1=C(SC=N1)C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)CCCCCCCN4C=C(N=C4C(=O)NC5=CN(C(=C5)C(=O)NCCCN(C)C)C)NC(=O)C6=C(N=CS6)C

InChI

InChI=1S/C47H64N16O6S2/c1-30-38(70-28-50-30)44(66)56-36-26-62(40(54-36)46(68)52-32-22-34(60(7)24-32)42(64)48-16-14-18-58(3)4)20-12-10-9-11-13-21-63-27-37(57-45(67)39-31(2)51-29-71-39)55-41(63)47(69)53-33-23-35(61(8)25-33)43(65)49-17-15-19-59(5)6/h22-29H,9-21H2,1-8H3,(H,48,64)(H,49,65)(H,52,68)(H,53,69)(H,56,66)(H,57,67)