6YJ
Summary
Name: | (2~{S},4~{R})-5-(4-aminophenyl)-4-azanyl-2-methyl-pentanoic acid |
Formula: | C12 H18 N2 O2 |
Formal charge: | 0 |
Formula weight: | 222.284 Da |
Component type: | peptide linking |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.5 | (2~{S},4~{R})-5-(4-aminophenyl)-4-azanyl-2-methyl-pentanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C12H18N2O2/c1-8(12(15)16)6-11(14)7-9-2-4-10(13)5-3-9/h2-5,8,11H,6-7,13-14H2,1H3,(H,15,16)/t8-,11+/m0/s1 |
InChIKey | InChI | 1.03 | JPGXUEFAQWNCEO-GZMMTYOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](C[C@@H](N)Cc1ccc(N)cc1)C(O)=O |
SMILES | CACTVS | 3.385 | C[CH](C[CH](N)Cc1ccc(N)cc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C[C@@H](C[C@H](Cc1ccc(cc1)N)N)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.5 | CC(CC(Cc1ccc(cc1)N)N)C(=O)O |