N-[1-[4-[4-[(4-acetamido-1-methyl-pyrrol-2-yl)carbonylamino]-2-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]pyrrol-1-yl]butyl]-5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide

Systemtic Name: N-[1-[4-[4-[(4-acetamido-1-methyl-pyrrol-2-yl)carbonylamino]-2-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]pyrrol-1-yl]butyl]-5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide Openeye Name: N-[1-[4-[4-[(4-acetamido-1-methyl-pyrrole-2-carbonyl)amino]-2-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxo-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]pyrrol-1-yl]butyl]-5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxo-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide CAS Name: N-[1-[4-[4-[[(4-acetamido-1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-[[[5-[[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-pyrrolyl]butyl]-5-[[[5-[[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-3-pyrrolyl]-1-methyl-2-imidazolecarboxamide IUPAC Name: N-[1-[4-[4-[(4-acetamido-1-methylpyrrole-2-carbonyl)amino]-2-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]pyrrol-1-yl]butyl]-5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1-methylimidazole-2-carboxamide Traditional Name: N-[1-[4-[4-[(4-acetamido-1-methyl-pyrrole-2-carbonyl)amino]-2-[[5-[[3-[3-(dimethylamino)propylamino]-3-keto-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]pyrrol-1-yl]butyl]-5-[[5-[[3-[3-(dimethylamino)propylamino]-3-keto-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide Formula: C55H76N18O9 MolecularWeight: 1133.30714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CN(C(=C1)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=O)NCCCN(C)C)C)CCCCN4C=C(C=C4C(=O)NC5=CN(C(=C5)C(=O)NCCC(=O)NCCCN(C)C)C)NC(=O)C6=NC=CN6C)C

Isomeric SMILES

CC(=O)NC1=CN(C(=C1)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=O)NCCCN(C)C)C)CCCCN4C=C(C=C4C(=O)NC5=CN(C(=C5)C(=O)NCCC(=O)NCCCN(C)C)C)NC(=O)C6=NC=CN6C)C

InChI

InChI=1S/C55H76N18O9/c1-36(74)61-37-26-44(71(9)31-37)52(79)64-40-29-45(53(80)62-38-27-42(69(7)32-38)50(77)59-18-14-47(75)56-16-12-21-66(2)3)72(34-40)23-10-11-24-73-35-41(65-55(82)49-58-20-25-68(49)6)30-46(73)54(81)63-39-28-43(70(8)33-39)51(78)60-19-15-48(76)57-17-13-22-67(4)5/h20,25-35H,10-19,21-24H2,1-9H3,(H,56,75)(H,57,76)(H,59,77)(H,60,78)(H,61,74)(H,62,80)(H,63,81)(H,64,79)(H,65,82)