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 |