JKC
Summary
| Name: | (2S)-2-azanyl-5-(phenylmethoxycarbonylamino)pentanoic acid |
| Formula: | C13 H18 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 266.293 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-5-(phenylmethoxycarbonylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H18N2O4/c14-11(12(16)17)7-4-8-15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | VULSXQYFUHKBAN-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCNC(=O)OCc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCNC(=O)OCc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COC(=O)NCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COC(=O)NCCCC(C(=O)O)N |
