4M8
Summary
| Name: | (2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid |
| Formula: | C5 H12 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 197.126 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-4-[methoxy(oxidanyl)phosphoryl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(CCC(C(O)=O)N)(O)OC |
| InChI | InChI | 1.03 | InChI=1S/C5H12NO5P/c1-11-12(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | IPFNRXLLJYWAGI-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[P](O)(=O)CC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CO[P](O)(=O)CC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CO[P@](=O)(CC[C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | COP(=O)(CCC(C(=O)O)N)O |
