4N3
Summary
| Name: | N-octanoyl-D-valine |
| Formula: | C13 H25 N O3 |
| Formal charge: | 0 |
| Formula weight: | 243.342 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-octanoyl-D-valine |
| OpenEye OEToolkits | 1.7.6 | (2R)-3-methyl-2-(octanoylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(C(C)C)C(=O)O)C(=O)CCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C13H25NO3/c1-4-5-6-7-8-9-11(15)14-12(10(2)3)13(16)17/h10,12H,4-9H2,1-3H3,(H,14,15)(H,16,17)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | SZUMGHGZFKDFPU-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC(=O)N[C@H](C(C)C)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCC(=O)N[CH](C(C)C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCC(=O)N[C@H](C(C)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCC(=O)NC(C(C)C)C(=O)O |
