9V0
Summary
| Name: | (2S)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid |
| Formula: | C14 H19 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 321.332 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H19N5O4/c15-11(13(20)21)6-3-4-8-17-14(22)23-9-10-5-1-2-7-12(10)18-19-16/h1-2,5,7,11H,3-4,6,8-9,15H2,(H,17,22)(H,20,21)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | PGNICAOCNIVZRV-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=O)OCc1ccccc1N=[N+]=[N-])C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=O)OCc1ccccc1N=[N+]=[N-])C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)N=[N+]=[N-] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)COC(=O)NCCCCC(C(=O)O)N)N=[N+]=[N-] |
