A1BIG
Summary
| Name: | L-gamma-glutamyl-S-[(2Z,6E)-3,7,15-trimethyl-11-methylidenehexadeca-2,6,14-trien-1-yl]-L-cysteinylglycine |
| Synonyms: | S-Geranylgeranyl-L-glutathione |
| Formula: | C30 H49 N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 579.792 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | L-gamma-glutamyl-S-[(2Z,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-L-cysteinylglycine |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(2~{Z},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NC(CSC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)C(=O)NCC(=O)O)CCC(N)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C30H49N3O6S/c1-21(2)9-6-10-22(3)11-7-12-23(4)13-8-14-24(5)17-18-40-20-26(29(37)32-19-28(35)36)33-27(34)16-15-25(31)30(38)39/h9,11,13,17,25-26H,6-8,10,12,14-16,18-20,31H2,1-5H3,(H,32,37)(H,33,34)(H,35,36)(H,38,39)/b22-11+,23-13+,24-17-/t25-,26-/m0/s1 |
| InChIKey | InChI | 1.06 | BAJIBEVLRWVBAZ-WKALPULASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)/C)/C)/C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=CCCC(=CCCC(=CCCC(=CCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C)C)C)C |
