DV4
Summary
| Name: | 4-{[4-(acetylamino)-1-methyl-1H-pyrrole-2-carbonyl]amino}-1-methyl-N-{4-[(1-methyl-1H-pyrrol-3-yl)amino]-4-oxobutyl}-1H-imidazole-2-carboxamide |
| Formula: | C22 H28 N8 O4 |
| Formal charge: | 0 |
| Formula weight: | 468.509 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-{[4-(acetylamino)-1-methyl-1H-pyrrole-2-carbonyl]amino}-1-methyl-N-{4-[(1-methyl-1H-pyrrol-3-yl)amino]-4-oxobutyl}-1H-imidazole-2-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 4-[(4-acetamido-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-~{N}-[4-[(1-methylpyrrol-3-yl)amino]-4-oxidanylidene-butyl]imidazole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(C(=O)NCCCC(=O)Nc1ccn(C)c1)n(cc(n2)NC(c3cc(cn3C)NC(C)=O)=O)C |
| InChI | InChI | 1.03 | InChI=1S/C22H28N8O4/c1-14(31)24-16-10-17(29(3)12-16)21(33)27-18-13-30(4)20(26-18)22(34)23-8-5-6-19(32)25-15-7-9-28(2)11-15/h7,9-13H,5-6,8H2,1-4H3,(H,23,34)(H,24,31)(H,25,32)(H,27,33) |
| InChIKey | InChI | 1.03 | LQGDWGRHWDPWIC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc(NC(=O)CCCNC(=O)c2nc(NC(=O)c3cc(NC(C)=O)cn3C)cn2C)c1 |
| SMILES | CACTVS | 3.385 | Cn1ccc(NC(=O)CCCNC(=O)c2nc(NC(=O)c3cc(NC(C)=O)cn3C)cn2C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1cc(n(c1)C)C(=O)Nc2cn(c(n2)C(=O)NCCCC(=O)Nc3ccn(c3)C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1cc(n(c1)C)C(=O)Nc2cn(c(n2)C(=O)NCCCC(=O)Nc3ccn(c3)C)C |
