XOK
Summary
| Name: | (2~{S})-2-azanyl-6-[[(6~{S})-6-sulfanyloctanoyl]amino]hexanoic acid |
| Formula: | C14 H28 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 304.449 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-2-azanyl-6-[[(6~{S})-6-sulfanyloctanoyl]amino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H28N2O3S/c1-2-11(20)7-3-4-9-13(17)16-10-6-5-8-12(15)14(18)19/h11-12,20H,2-10,15H2,1H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1 |
| InChIKey | InChI | 1.03 | BDYMSDKXXDEVFL-RYUDHWBXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](S)CCCCC(=O)NCCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](S)CCCCC(=O)NCCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N)S |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCC(CCCCC(=O)NCCCCC(C(=O)O)N)S |
