dizinc 3-[(5Z)-5-[[4-[[(5Z)-5-[[3,5-dimethyl-4-[3-oxidanylidene-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]propyl]pyrrol-1-id-2-yl]methylidene]-2,4-dimethyl-pyrrol-3-yl]methyl]-3,5-dimethyl-pyrrol-1-id-2-yl]methylidene]-2,4-dimethyl-pyrrol-3-yl]-N-[(1R)-1-phenylethyl]-N-(phenylmethyl)propanamide

Systemtic Name: dizinc 3-[(5Z)-5-[[4-[[(5Z)-5-[[3,5-dimethyl-4-[3-oxidanylidene-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]propyl]pyrrol-1-id-2-yl]methylidene]-2,4-dimethyl-pyrrol-3-yl]methyl]-3,5-dimethyl-pyrrol-1-id-2-yl]methylidene]-2,4-dimethyl-pyrrol-3-yl]-N-[(1R)-1-phenylethyl]-N-(phenylmethyl)propanamide Openeye Name: dizinc N-benzyl-3-[(5Z)-5-[[4-[[(5Z)-5-[[4-[3-[benzyl-[(1R)-1-phenylethyl]amino]-3-oxo-propyl]-3,5-dimethyl-pyrrol-1-id-2-yl]methylene]-2,4-dimethyl-pyrrol-3-yl]methyl]-3,5-dimethyl-pyrrol-1-id-2-yl]methylene]-2,4-dimethyl-pyrrol-3-yl]-N-[(1R)-1-phenylethyl]propanamide CAS Name: dizinc 3-[(5Z)-5-[[4-[[(5Z)-5-[[3,5-dimethyl-4-[3-oxo-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]propyl]-2-pyrrol-1-idyl]methylidene]-2,4-dimethyl-3-pyrrolyl]methyl]-3,5-dimethyl-2-pyrrol-1-idyl]methylidene]-2,4-dimethyl-3-pyrrolyl]-N-[(1R)-1-phenylethyl]-N-(phenylmethyl)propanamide IUPAC Name: dizinc N-benzyl-3-[(5Z)-5-[[4-[[(5Z)-5-[[4-[3-[benzyl-[(1R)-1-phenylethyl]amino]-3-oxopropyl]-3,5-dimethylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]-N-[(1R)-1-phenylethyl]propanamide Traditional Name: dizinc N-benzyl-3-[(5Z)-5-[[4-[[(5Z)-5-[[4-[3-[benzyl-[(1R)-1-phenylethyl]amino]-3-keto-propyl]-3,5-dimethyl-pyrrol-1-id-2-yl]methylene]-2,4-dimethyl-pyrrol-3-yl]methyl]-3,5-dimethyl-pyrrol-1-id-2-yl]methylene]-2,4-dimethyl-pyrrol-3-yl]-N-[(1R)-1-phenylethyl]propionamide Formula: C126H136N12O4Zn2 MolecularWeight: 2013.32404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=CC2=C(C(=C([N-]2)C)CC3=C(C(=CC4=C(C(=C([N-]4)C)CCC(=O)N(CC5=CC=CC=C5)C(C)C6=CC=CC=C6)C)N=C3C)C)C)C)CCC(=O)N(CC7=CC=CC=C7)C(C)C8=CC=CC=C8.CC1=C(C(=NC1=CC2=C(C(=C([N-]2)C)CC3=C(C(=CC4=C(C(=C([N-]4)C)CCC(=O)N(CC5=CC=CC=C5)C(C)C6=CC=CC=C6)C)N=C3C)C)C)C)CCC(=O)N(CC7=CC=CC=C7)C(C)C8=CC=CC=C8.[Zn+2].[Zn+2]

Isomeric SMILES

CC\1=C(C(=N/C1=C\C2=C(C(=C([N-]2)C)CC3=C(/C(=C/C4=C(C(=C([N-]4)C)CCC(=O)N([C@@H](C5=CC=CC=C5)C)CC6=CC=CC=C6)C)/N=C3C)C)C)C)CCC(=O)N([C@@H](C7=CC=CC=C7)C)CC8=CC=CC=C8.CC\1=C(C(=N/C1=C\C2=C(C(=C([N-]2)C)CC3=C(/C(=C/C4=C(C(=C([N-]4)C)CCC(=O)N([C@@H](C5=CC=CC=C5)C)CC6=CC=CC=C6)C)/N=C3C)C)C)C)CCC(=O)N([C@@H](C7=CC=CC=C7)C)CC8=CC=CC=C8.[Zn+2].[Zn+2]

InChI

InChI=1S/2C63H68N6O2.2Zn/c2*1-40-54(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;;/h2*11-30,36-37,48-49H,31-35,38-39H2,1-10H3;;/q2*-2;2*+2/t2*48-,49-;;/m11../s1