LRK
Summary
| Name: | (2S)-2-azanyl-6-[[(2R,4R)-1,4-bis(oxidanyl)-3-oxidanylidene-5-phosphonooxy-pentan-2-yl]amino]hexanoic acid |
| Formula: | C11 H23 N2 O9 P |
| Formal charge: | 0 |
| Formula weight: | 358.282 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-6-{[(2R,4R)-1,4-dihydroxy-3-oxo-5-(phosphonooxy)pentan-2-yl]amino}hexanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-6-[[(2R,4R)-1,4-bis(oxidanyl)-3-oxidanylidene-5-phosphonooxy-pentan-2-yl]amino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OCC(O)C(=O)C(NCCCCC(C(=O)O)N)CO)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-8(5-14)10(16)9(15)6-22-23(19,20)21/h7-9,13-15H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,8+,9+/m0/s1 |
| InChIKey | InChI | 1.03 | MTFNVQCMTVXWTF-DJLDLDEBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCN[C@H](CO)C(=O)[C@H](O)CO[P](O)(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCN[CH](CO)C(=O)[CH](O)CO[P](O)(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(CCN[C@H](CO)C(=O)[C@@H](COP(=O)(O)O)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CCNC(CO)C(=O)C(COP(=O)(O)O)O)CC(C(=O)O)N |
