LEH
Summary
Name: | N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine |
Formula: | C21 H37 N3 O3 |
Formal charge: | 0 |
Formula weight: | 379.537 Da |
Component type: | L-peptide linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine |
OpenEye OEToolkits | 1.5.0 | (2S)-2-(12-imidazol-1-yldodecanoylamino)-4-methyl-pentanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)CCCCCCCCCCCn1ccnc1)CC(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@H](NC(=O)CCCCCCCCCCCn1ccnc1)C(O)=O |
SMILES | CACTVS | 3.341 | CC(C)C[CH](NC(=O)CCCCCCCCCCCn1ccnc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1 |
InChI | InChI | 1.03 | InChI=1S/C21H37N3O3/c1-18(2)16-19(21(26)27)23-20(25)12-10-8-6-4-3-5-7-9-11-14-24-15-13-22-17-24/h13,15,17-19H,3-12,14,16H2,1-2H3,(H,23,25)(H,26,27)/t19-/m0/s1 |
InChIKey | InChI | 1.03 | PSJOKLGFODYIHJ-IBGZPJMESA-N |