ZQQ
Summary
| Name: | N-[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-1-methyl-1H-imidazole-2-carboxamide |
| Formula: | C25 H35 N9 O4 |
| Formal charge: | 0 |
| Formula weight: | 525.603 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-1-methyl-1H-imidazole-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cc(C(=O)Nc2cc(C(=O)NCCC(=O)NCCCN(C)C)n(C)c2)n(C)c1)c1nccn1C |
| InChI | InChI | 1.06 | InChI=1S/C25H35N9O4/c1-31(2)11-6-8-26-21(35)7-9-28-23(36)19-13-17(15-33(19)4)29-24(37)20-14-18(16-34(20)5)30-25(38)22-27-10-12-32(22)3/h10,12-16H,6-9,11H2,1-5H3,(H,26,35)(H,28,36)(H,29,37)(H,30,38) |
| InChIKey | InChI | 1.06 | GXOSUFJCHMSUFC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cn1C |
| SMILES | CACTVS | 3.385 | CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cn1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(=O)NCCCN(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(=O)NCCCN(C)C |
