ZO7
Summary
| Name: | N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine |
| Formula: | C24 H30 Cl N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 475.965 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine |
| OpenEye OEToolkits | 2.0.7 | 1-[4-chloranyl-3-[[(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]amino]phenyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=C(C)c1cccc(c1)C(C)(C)NC(=O)Nc1cc(NC2OCC(O)C(O)C2O)c(Cl)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C24H30ClN3O5/c1-13(2)14-6-5-7-15(10-14)24(3,4)28-23(32)26-16-8-9-17(25)18(11-16)27-22-21(31)20(30)19(29)12-33-22/h5-11,19-22,27,29-31H,1,12H2,2-4H3,(H2,26,28,32)/t19-,20-,21+,22-/m1/s1 |
| InChIKey | InChI | 1.03 | AFRUCARRYXUVSH-YUMYIRISSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(N[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)c2 |
| SMILES | CACTVS | 3.385 | CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(N[CH]3OC[CH](O)[CH](O)[CH]3O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@H]([C@@H]([C@@H](CO3)O)O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)NC3C(C(C(CO3)O)O)O)Cl |
