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 |