XC1
Summary
| Name: | N-[(3,5-dichlorophenyl)sulfonyl]-L-isoleucyl-N-hydroxy-L-norvalinamide |
| Formula: | C17 H25 Cl2 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 454.369 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3,5-dichlorophenyl)sulfonyl]-L-isoleucyl-N-hydroxy-L-norvalinamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-2-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-3-methyl-~{N}-[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-pentan-2-yl]pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(CC)C)(C(=O)NC(C(=O)NO)CCC)NS(c1cc(cc(c1)Cl)Cl)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C17H25Cl2N3O5S/c1-4-6-14(16(23)21-25)20-17(24)15(10(3)5-2)22-28(26,27)13-8-11(18)7-12(19)9-13/h7-10,14-15,22,25H,4-6H2,1-3H3,(H,20,24)(H,21,23)/t10-,14-,15-/m0/s1 |
| InChIKey | InChI | 1.03 | VNYSFABAYGTWDO-LKTVYLICSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@H](NC(=O)[C@@H](N[S](=O)(=O)c1cc(Cl)cc(Cl)c1)[C@@H](C)CC)C(=O)NO |
| SMILES | CACTVS | 3.385 | CCC[CH](NC(=O)[CH](N[S](=O)(=O)c1cc(Cl)cc(Cl)c1)[CH](C)CC)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@@H](C(=O)NO)NC(=O)[C@H]([C@@H](C)CC)NS(=O)(=O)c1cc(cc(c1)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(C(=O)NO)NC(=O)C(C(C)CC)NS(=O)(=O)c1cc(cc(c1)Cl)Cl |
