3-[5-[(Z)-[4-[[(5Z)-5-[[3,5-dimethyl-4-[3-oxidanylidene-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]propyl]-1H-pyrrol-2-yl]methylidene]-2,4-dimethyl-pyrrol-3-yl]methyl]-3,5-dimethyl-pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-[(1S)-1-phenylethyl]-N-(phenylmethyl)propanamide dihydrobromide

Systemtic Name: 3-[5-[(Z)-[4-[[(5Z)-5-[[3,5-dimethyl-4-[3-oxidanylidene-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]propyl]-1H-pyrrol-2-yl]methylidene]-2,4-dimethyl-pyrrol-3-yl]methyl]-3,5-dimethyl-pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-[(1S)-1-phenylethyl]-N-(phenylmethyl)propanamide dihydrobromide Openeye Name: N-benzyl-3-[5-[(Z)-[4-[[(5Z)-5-[[4-[3-[benzyl-[(1S)-1-phenylethyl]amino]-3-oxo-propyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylene]-2,4-dimethyl-pyrrol-3-yl]methyl]-3,5-dimethyl-pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-[(1S)-1-phenylethyl]propanamide dihydrobromide CAS Name: 3-[5-[(Z)-[4-[[(5Z)-5-[[3,5-dimethyl-4-[3-oxo-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]propyl]-1H-pyrrol-2-yl]methylidene]-2,4-dimethyl-3-pyrrolyl]methyl]-3,5-dimethyl-2-pyrrolylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-[(1S)-1-phenylethyl]-N-(phenylmethyl)propanamide dihydrobromide IUPAC Name: N-benzyl-3-[5-[(Z)-[4-[[(5Z)-5-[[4-[3-[benzyl-[(1S)-1-phenylethyl]amino]-3-oxopropyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-[(1S)-1-phenylethyl]propanamide dihydrobromide Traditional Name: N-benzyl-3-[5-[(Z)-[4-[[(5Z)-5-[[4-[3-[benzyl-[(1S)-1-phenylethyl]amino]-3-keto-propyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylene]-2,4-dimethyl-pyrrol-3-yl]methyl]-3,5-dimethyl-pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-[(1S)-1-phenylethyl]propionamide dihydrobromide Formula: C63H72Br2N6O2 MolecularWeight: 1105.09278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)N(CC2=CC=CC=C2)C(C)C3=CC=CC=C3)C)C=C4C(=C(C(=N4)C)CC5=C(C(=CC6=C(C(=C(N6)C)CCC(=O)N(CC7=CC=CC=C7)C(C)C8=CC=CC=C8)C)N=C5C)C)C.Br.Br

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)N([C@H](C2=CC=CC=C2)C)CC3=CC=CC=C3)C)/C=C/4\N=C(C(=C4C)CC5=C(/C(=C/C6=C(C(=C(N6)C)CCC(=O)N([C@H](C7=CC=CC=C7)C)CC8=CC=CC=C8)C)/N=C5C)C)C.Br.Br

InChI

InChI=1S/C63H70N6O2.2BrH/c1-40-54(31-33-62(70)68(38-50-23-15-11-16-24-50)48(9)52-27-19-13-20-28-52)44(5)64-58(40)36-60-42(3)56(46(7)66-60)35-57-43(4)61(67-47(57)8)37-59-41(2)55(45(6)65-59)32-34-63(71)69(39-51-25-17-12-18-26-51)49(10)53-29-21-14-22-30-53;;/h11-30,36-37,48-49,64-65H,31-35,38-39H2,1-10H3;2*1H/b60-36-,61-37-;;/t48-,49-;;/m0../s1