5-(4-azanylbutylamino)-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]-1,2-thiazole-3-carboxamide

Systemtic Name: 5-(4-azanylbutylamino)-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]-1,2-thiazole-3-carboxamide Openeye Name: 5-(4-aminobutylamino)-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]isothiazole-3-carboxamide CAS Name: 5-(4-aminobutylamino)-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]-3-isothiazolecarboxamide IUPAC Name: 5-(4-aminobutylamino)-4-chloro-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: 5-(4-aminobutylamino)-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]isothiazole-3-carboxamide Formula: C35H48ClN11O4S MolecularWeight: 754.34492

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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)NCCCCN

Isomeric SMILES

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

InChI

InChI=1S/C35H48ClN11O4S/c1-45-19-23(16-26(45)31(48)39-15-9-14-38-22-10-5-4-6-11-22)41-32(49)27-17-24(20-46(27)2)42-33(50)28-18-25(21-47(28)3)43-34(51)30-29(36)35(52-44-30)40-13-8-7-12-37/h16-22,38,40H,4-15,37H2,1-3H3,(H,39,48)(H,41,49)(H,42,50)(H,43,51)