5OM
Summary
| Name: | (2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid |
| Formula: | C10 H19 N O5 |
| Formal charge: | 0 |
| Formula weight: | 233.262 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-2-azanyl-8,8-bis(oxidanyl)-8-[(2~{S})-oxiran-2-yl]octanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(CCCCCC(N)C(=O)O)(O)C1OC1 |
| InChI | InChI | 1.03 | InChI=1S/C10H19NO5/c11-7(9(12)13)4-2-1-3-5-10(14,15)8-6-16-8/h7-8,14-15H,1-6,11H2,(H,12,13)/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | UAOBJHWYYLJIHG-YUMQZZPRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCCC(O)(O)[C@@H]1CO1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCCC(O)(O)[CH]1CO1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C1[C@H](O1)C(CCCCC[C@@H](C(=O)O)N)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | C1C(O1)C(CCCCCC(C(=O)O)N)(O)O |
