SLN
Summary
| Name: | 1-(4-AZIDO-2-NITROPHENYL)AMINO-3-(1-OXYL-2,2,5,5-TETRAMETHYLPYRROLIDINYL-3-CARBAMIDO)-2-PROPYLDISPHOSPHATE |
| Synonyms: | (SL-NANDP) |
| Formula: | C18 H29 N7 O11 P2 |
| Formal charge: | 0 |
| Formula weight: | 581.411 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S)-2-[(4-azido-2-nitrophenyl)amino]-1-[({[(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]carbonyl}amino)methyl]ethyl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.5.0 | [(2S)-1-[(4-azido-2-nitro-phenyl)amino]-3-[[(1R,3R)-1-hydroxy-2,2,5,5-tetramethyl-pyrrolidin-3-yl]carbonylamino]propan-2-yl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cc(/N=[N+]=[N-])ccc1NCC(OP(=O)(O)OP(=O)(O)O)CNC(=O)C2C(N(O)C(C)(C)C2)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)C[C@@H](C(=O)NC[C@H](CNc2ccc(cc2[N+]([O-])=O)N=[N+]=[N-])O[P@](O)(=O)O[P](O)(O)=O)C(C)(C)N1O |
| SMILES | CACTVS | 3.341 | CC1(C)C[CH](C(=O)NC[CH](CNc2ccc(cc2[N+]([O-])=O)N=[N+]=[N-])O[P](O)(=O)O[P](O)(O)=O)C(C)(C)N1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(C[C@H](C([N@@]1O)(C)C)C(=O)NC[C@H](CNc2ccc(cc2[N+](=O)[O-])N=[N+]=[N-])O[P@@](=O)(O)OP(=O)(O)O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(CC(C(N1O)(C)C)C(=O)NCC(CNc2ccc(cc2[N+](=O)[O-])N=[N+]=[N-])OP(=O)(O)OP(=O)(O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C18H29N7O11P2/c1-17(2)8-13(18(3,4)25(17)29)16(26)21-10-12(35-38(33,34)36-37(30,31)32)9-20-14-6-5-11(22-23-19)7-15(14)24(27)28/h5-7,12-13,20,29H,8-10H2,1-4H3,(H,21,26)(H,33,34)(H2,30,31,32)/t12-,13-/m0/s1 |
| InChIKey | InChI | 1.03 | HZRFLJTVCVQAIS-STQMWFEESA-N |
