9BP
Summary
| Name: | 4-amino-N-(2-methylpropanoyl)-D-isovaline |
| Formula: | C9 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 202.251 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-N-(2-methylpropanoyl)-D-isovaline |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-4-azanyl-2-methyl-2-(2-methylpropanoylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)O)(C)CCN)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C9H18N2O3/c1-6(2)7(12)11-9(3,4-5-10)8(13)14/h6H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | TUNHMXQNDLSWQC-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C(=O)N[C@](C)(CCN)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C(=O)N[C](C)(CCN)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)C(=O)N[C@](C)(CCN)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)C(=O)NC(C)(CCN)C(=O)O |
