5U0
Summary
| Name: | s-farnesyl-l-cysteine methyl ester |
| Formula: | C19 H33 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 339.536 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | methyl (2~{R})-2-azanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H33NO2S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-23-14-18(20)19(21)22-5/h8,10,12,18H,6-7,9,11,13-14,20H2,1-5H3/b16-10+,17-12+/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | SIEHZFPZQUNSAS-GCVUPTOQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H](N)CSC/C=C(C)/CC\C=C(C)\CCC=C(C)C |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](N)CSCC=C(C)CCC=C(C)CCC=C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)OC)N)/C)/C)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(=CCCC(=CCCC(=CCSCC(C(=O)OC)N)C)C)C |
