LEE
Summary
| Name: | L-gamma-glutamyl-S-hexyl-L-cysteinylglycine |
| Formula: | C16 H29 N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 391.483 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | L-gamma-glutamyl-S-hexyl-L-cysteinylglycine |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-hexylsulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)NCC(=O)O)CSCCCCCC)CCC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O |
| SMILES | CACTVS | 3.370 | CCCCCCSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1 |
| InChIKey | InChI | 1.03 | HXJDWCWJDCOHDG-RYUDHWBXSA-N |
