AS9
Summary
| Name: | N-[HYDROXY(METHYL)PHOSPHORYL]-L-ASPARTIC ACID |
| Synonyms: | N-PHOSPHONOMETHYL-L-ASPARTIC ACID (2S)-2-(HYDROPEROXY(METHOXY)PHOSPHORYLAMINO)SUCCINIC ACID |
| Formula: | C5 H10 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 211.11 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(R)-hydroxy(methyl)phosphoryl]-L-aspartic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[(hydroxy-methyl-phosphoryl)amino]butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NP(=O)(O)C)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[P@](O)(=O)N[C@@H](CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | C[P](O)(=O)N[CH](CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[P@](=O)(N[C@@H](CC(=O)O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CP(=O)(NC(CC(=O)O)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10NO6P/c1-13(11,12)6-3(5(9)10)2-4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10)(H2,6,11,12)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | GKKRPYJQMIDFSC-VKHMYHEASA-N |
