55N
Summary
| Name: | (2R,4R)-2-(acetyloxy)-5-methyl-4-(methylamino)hexanoic acid |
| Formula: | C10 H19 N O4 |
| Formal charge: | 0 |
| Formula weight: | 217.262 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,4R)-2-(acetyloxy)-5-methyl-4-(methylamino)hexanoic acid |
| OpenEye OEToolkits | 1.9.2 | (2R,4R)-2-acetyloxy-5-methyl-4-(methylamino)hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(C(C)C)CC(OC(C)=O)C(O)=O)C |
| InChI | InChI | 1.03 | InChI=1S/C10H19NO4/c1-6(2)8(11-4)5-9(10(13)14)15-7(3)12/h6,8-9,11H,5H2,1-4H3,(H,13,14)/t8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | YRGKJOMDOOLXCN-RKDXNWHRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@H](C[C@@H](OC(C)=O)C(O)=O)C(C)C |
| SMILES | CACTVS | 3.385 | CN[CH](C[CH](OC(C)=O)C(O)=O)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)[C@@H](C[C@H](C(=O)O)OC(=O)C)NC |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)C(CC(C(=O)O)OC(=O)C)NC |
