L5P
Summary
| Name: | (2S)-2-azanyl-6-[[(3R,4R)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]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-{[(3R,4R)-3,4-dihydroxy-2-oxo-5-(phosphonooxy)pentyl]amino}hexanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-6-[[(3R,4R)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(O)=O)CCCCNCC(=O)C(O)C(COP(O)(O)=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-5-8(14)10(16)9(15)6-22-23(19,20)21/h7,9-10,13,15-16H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,9+,10-/m0/s1 |
| InChIKey | InChI | 1.03 | FCAUVIWDSGPTCC-SFGNSQDASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNCC(=O)[C@H](O)[C@H](O)CO[P](O)(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CCNCC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CCNCC(=O)C(C(COP(=O)(O)O)O)O)CC(C(=O)O)N |
