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

Systemtic Name: 4-chloranyl-5-[3-(cyclohexylamino)propylamino]-N-[5-[[5-[[5-[3-(cyclohexylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1,2-thiazole-3-carboxamide Openeye Name: 4-chloro-5-[3-(cyclohexylamino)propylamino]-N-[5-[[5-[[5-[3-(cyclohexylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]isothiazole-3-carboxamide CAS Name: 4-chloro-5-[3-(cyclohexylamino)propylamino]-N-[5-[[[5-[[[5-[[3-(cyclohexylamino)propylamino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-3-isothiazolecarboxamide IUPAC Name: 4-chloro-5-[3-(cyclohexylamino)propylamino]-N-[5-[[5-[[5-[3-(cyclohexylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1,2-thiazole-3-carboxamide Traditional Name: 4-chloro-5-[3-(cyclohexylamino)propylamino]-N-[5-[[5-[[5-[3-(cyclohexylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]isothiazole-3-carboxamide Formula: C40H56ClN11O4S MolecularWeight: 822.46194

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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)NCCCNC6CCCCC6

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCCNC2CCCCC2)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C5=NSC(=C5Cl)NCCCNC6CCCCC6

InChI

InChI=1S/C40H56ClN11O4S/c1-50-23-28(20-31(50)36(53)44-18-10-16-42-26-12-6-4-7-13-26)46-37(54)32-21-29(24-51(32)2)47-38(55)33-22-30(25-52(33)3)48-39(56)35-34(41)40(57-49-35)45-19-11-17-43-27-14-8-5-9-15-27/h20-27,42-43,45H,4-19H2,1-3H3,(H,44,53)(H,46,54)(H,47,55)(H,48,56)