9TU
Summary
| Name: | N6-[({3-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methoxy)carbonyl]-L-lysine |
| Formula: | C16 H19 F3 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 388.342 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~6~-[({3-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methoxy)carbonyl]-L-lysine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-6-[[3-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(cc(C1(N=N1)C(F)(F)F)ccc2)COC(=O)NCCCCC(N)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C16H19F3N4O4/c17-16(18,19)15(22-23-15)11-5-3-4-10(8-11)9-27-14(26)21-7-2-1-6-12(20)13(24)25/h3-5,8,12H,1-2,6-7,9,20H2,(H,21,26)(H,24,25)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | JHAONYPOHPLZAQ-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=O)OCc1cccc(c1)C2(N=N2)C(F)(F)F)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=O)OCc1cccc(c1)C2(N=N2)C(F)(F)F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C2(N=N2)C(F)(F)F)COC(=O)NCCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C2(N=N2)C(F)(F)F)COC(=O)NCCCCC(C(=O)O)N |
