S-[(2E,6E)-farnesyl]-L-cysteine methyl ester (Q27159423)

Farnesylcysteine methyl ester (English)

(2R)-2-amino-3-(3,7,11-trimethyldodeca-2,6,10-trienylthio)propanoic acid methyl ester

9 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₉H₃₃NO₂S

1 reference

Farnesylcysteine methyl ester (English)

9 October 2016

canonical SMILES

CC(=CCCC(=CCCC(=CCSCC(C(=O)OC)N)C)C)C

1 reference

Farnesylcysteine methyl ester (English)

9 October 2016

isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)OC)N)/C)/C)C

1 reference

Farnesylcysteine methyl ester (English)

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

9 October 2016

Identifiers

InChI

1 reference

Farnesylcysteine methyl ester (English)

SIEHZFPZQUNSAS-GCVUPTOQSA-N

9 October 2016

InChIKey

2 references

Farnesylcysteine methyl ester (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

S-[(2E,6E)-farnesyl]-L-cysteine methyl ester (English)

9 October 2016

1 reference

Methyl S-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-L-cysteinate (English)

9 October 2016

2 references

Farnesylcysteine methyl ester (English)

matched by identifier from

9 October 2016

InChIKey

SIEHZFPZQUNSAS-GCVUPTOQSA-N

Reaxys registry number

4354459

1 reference

S-[(2E,6E)-farnesyl]-L-cysteine methyl ester (English)

9 October 2016

ChEBI ID

87167

mapping relation type

2 references

S-[(2E,6E)-farnesyl]-L-cysteine methyl ester (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

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

1 reference