A1CA2
Summary
| Name: | N-acetyl-S-geranylgeranyl-L-cysteine |
| Synonyms: | N-acetyl-S-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-L-cysteine |
| Formula: | C25 H41 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 435.663 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-acetyl-S-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-L-cysteine |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-2-acetamido-3-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(C)NC(CSC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C25H41NO3S/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-17-30-18-24(25(28)29)26-23(6)27/h10,12,14,16,24H,7-9,11,13,15,17-18H2,1-6H3,(H,26,27)(H,28,29)/t24-/m0/s1 |
| InChIKey | InChI | 1.06 | PKFBJSDMCRJYDC-DEOSSOPVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCCC(/C)=C\CC\C(C)=C/CCC(/C)=C\CSC[C@H](NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCSC[CH](NC(C)=O)C(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)O)NC(=O)C)/C)/C)/C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=CCCC(=CCCC(=CCCC(=CCSCC(C(=O)O)NC(=O)C)C)C)C)C |
