JMO
Summary
| Name: | (2R)-4-cyano-2-[(2~{S})-2-(methylamino)propanoyl]oxy-butanoic acid |
| Formula: | C9 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 214.218 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-4-cyano-2-[(2~{S})-2-(methylamino)propanoyl]oxy-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H14N2O4/c1-6(11-2)9(14)15-7(8(12)13)4-3-5-10/h6-7,11H,3-4H2,1-2H3,(H,12,13)/t6-,7+/m0/s1 |
| InChIKey | InChI | 1.06 | DHDJOACTYANFTO-NKWVEPMBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](C)C(=O)O[C@H](CCC#N)C(O)=O |
| SMILES | CACTVS | 3.385 | CN[CH](C)C(=O)O[CH](CCC#N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)O[C@H](CCC#N)C(=O)O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)OC(CCC#N)C(=O)O)NC |
