GVL
Summary
| Name: | O-[(R)-{[(3R)-4-AMINO-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL]OXY}(HYDROXY)PHOSPHORYL]-L-SERINE |
| Formula: | C9 H19 N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 314.23 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | O-[(R)-{[(3R)-4-amino-3-hydroxy-2,2-dimethyl-4-oxobutyl]oxy}(hydroxy)phosphoryl]-L-serine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-[[(3R)-4-amino-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-hydroxy-phosphoryl]oxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)C(O)C(COP(=O)(OCC(N)C(=O)O)O)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(CO[P@](O)(=O)OC[C@H](N)C(O)=O)[C@@H](O)C(N)=O |
| SMILES | CACTVS | 3.341 | CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(COP(=O)(O)OCC(C(=O)O)N)C(C(=O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C9H19N2O8P/c1-9(2,6(12)7(11)13)4-19-20(16,17)18-3-5(10)8(14)15/h5-6,12H,3-4,10H2,1-2H3,(H2,11,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | YQHAEUQRUHFKLT-WDSKDSINSA-N |
