4-chloranyl-N-[5-[[5-[[5-[3-(cyclohexylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-3-carboxamide

Systemtic Name: 4-chloranyl-N-[5-[[5-[[5-[3-(cyclohexylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-3-carboxamide Openeye Name: 4-chloro-N-[5-[[5-[[5-[3-(cyclohexylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-(2-morpholinoethylamino)isothiazole-3-carboxamide CAS Name: 4-chloro-N-[5-[[[5-[[[5-[[3-(cyclohexylamino)propylamino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-5-[2-(4-morpholinyl)ethylamino]-3-isothiazolecarboxamide IUPAC Name: 4-chloro-N-[5-[[5-[[5-[3-(cyclohexylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-3-carboxamide Traditional Name: 4-chloro-N-[5-[[5-[[5-[3-(cyclohexylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-(2-morpholinoethylamino)isothiazole-3-carboxamide Formula: C37H50ClN11O5S MolecularWeight: 796.3816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCCNC2CCCCC2)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C5=NSC(=C5Cl)NCCN6CCOCC6

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCCNC2CCCCC2)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C5=NSC(=C5Cl)NCCN6CCOCC6

InChI

InChI=1S/C37H50ClN11O5S/c1-46-21-25(18-28(46)33(50)40-11-7-10-39-24-8-5-4-6-9-24)42-34(51)29-19-26(22-47(29)2)43-35(52)30-20-27(23-48(30)3)44-36(53)32-31(38)37(55-45-32)41-12-13-49-14-16-54-17-15-49/h18-24,39,41H,4-17H2,1-3H3,(H,40,50)(H,42,51)(H,43,52)(H,44,53)