P11
Summary
| Name: | IMIDAZOLE-PYRROLE-BETA ALANINE-IMIDAZOLE-BETA ALANINE-IMIDAZOLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE |
| Formula: | C41 H56 N17 O8 |
| Formal charge: | 1 |
| Formula weight: | 914.992 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N,N-dimethyl-3-{[3-({[1-methyl-4-({[1-methyl-4-({3-[({1-methyl-4-[(3-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}propanoyl)amino]-1H-imidazol-2-yl}carbonyl)amino]propanoyl}amino)-1H-imidazol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)propanoyl]amino}propan-1-aminium (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazol-2-yl]carbonylamino]propanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c3nc(NC(=O)CCNC(=O)c2cc(NC(=O)c1nccn1C)cn2C)cn3C)NCCC(=O)Nc5nc(C(=O)Nc4cc(C(=O)NCCC(=O)NCCC[NH+](C)C)n(c4)C)n(c5)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1ccnc1C(=O)Nc2cn(C)c(c2)C(=O)NCCC(=O)Nc3cn(C)c(n3)C(=O)NCCC(=O)Nc4cn(C)c(n4)C(=O)Nc5cn(C)c(c5)C(=O)NCCC(=O)NCCC[NH+](C)C |
| SMILES | CACTVS | 3.341 | Cn1ccnc1C(=O)Nc2cn(C)c(c2)C(=O)NCCC(=O)Nc3cn(C)c(n3)C(=O)NCCC(=O)Nc4cn(C)c(n4)C(=O)Nc5cn(C)c(c5)C(=O)NCCC(=O)NCCC[NH+](C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=O)Nc3cn(c(n3)C(=O)NCCC(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=O)Nc3cn(c(n3)C(=O)NCCC(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C41H55N17O8/c1-53(2)17-8-12-42-31(59)9-13-44-37(62)28-20-26(22-56(28)5)48-41(66)36-52-30(24-58(36)7)50-33(61)11-15-46-39(64)35-51-29(23-57(35)6)49-32(60)10-14-45-38(63)27-19-25(21-55(27)4)47-40(65)34-43-16-18-54(34)3/h16,18-24H,8-15,17H2,1-7H3,(H,42,59)(H,44,62)(H,45,63)(H,46,64)(H,47,65)(H,48,66)(H,49,60)(H,50,61)/p+1 |
| InChIKey | InChI | 1.03 | XZTAUBIMIILCRT-UHFFFAOYSA-O |
