CWN
Summary
| Name: | NtMe polyamide |
| Formula: | C58 H71 N20 O10 S |
| Formal charge: | 1 |
| Formula weight: | 1240.377 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(5-methyl-1,3-thiazol-4-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C58H70N20O10S/c1-33-49(62-32-89-33)57(87)67-38-23-44(76(8)29-38)55(85)65-36-21-42(74(6)27-36)53(83)63-34-19-40(72(4)25-34)51(81)60-15-11-13-48(80)69-46-31-78(10)50(70-46)58(88)68-39-24-45(77(9)30-39)56(86)66-37-22-43(75(7)28-37)54(84)64-35-20-41(73(5)26-35)52(82)61-17-14-47(79)59-16-12-18-71(2)3/h19-32H,11-18H2,1-10H3,(H,59,79)(H,60,81)(H,61,82)(H,63,83)(H,64,84)(H,65,85)(H,66,86)(H,67,87)(H,68,88)(H,69,80)/p+1 |
| InChIKey | InChI | 1.03 | HKFXWRQIBKGGHN-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ncsc4C)cn3C)cn2C)cc1C(=O)NCCCC(=O)Nc5cn(C)c(n5)C(=O)Nc6cn(C)c(c6)C(=O)Nc7cn(C)c(c7)C(=O)Nc8cn(C)c(c8)C(=O)NCCC(=O)NCCC[NH+](C)C |
| SMILES | CACTVS | 3.385 | Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ncsc4C)cn3C)cn2C)cc1C(=O)NCCCC(=O)Nc5cn(C)c(n5)C(=O)Nc6cn(C)c(c6)C(=O)Nc7cn(C)c(c7)C(=O)Nc8cn(C)c(c8)C(=O)NCCC(=O)NCCC[NH+](C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(ncs1)C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(ncs1)C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C |
