(2S,3R)-3-farnesyl-2,3-dihydro-2,N(alpha)-cyclo-L-tryptophan (CHEBI:52950)

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CHEBI:52950 - (2S,3R)-3-farnesyl-2,3-dihydro-2,N^α-cyclo-L-tryptophan

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ChEBI ID	CHEBI:52950
ChEBI Name	(2S,3R)-3-farnesyl-2,3-dihydro-2,N^α-cyclo-L-tryptophan
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ASCII Name	(2S,3R)-3-farnesyl-2,3-dihydro-2,N(alpha)-cyclo-L-tryptophan
Definition	A cyclo-L-tryptophan derivative having a farnesyl group attached at the 3a-position.
Last Modified	18 December 2014
Submitter	John Garavelli
Downloads	Molfile

Formula	C26H36N2O2
Net Charge	0
Average Mass	408.586
Monoisotopic Mass	408.27768
SMILES	[H][C@]12Nc3ccccc3[C@@]1(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C[C@@H](C(=O)O)N2
InChI	InChI=1S/C26H36N2O2/c1-18(2)9-7-10-19(3)11-8-12-20(4)15-16-26-17-23(24(29)30)28-25(26)27-22-14-6-5-13-21(22)26/h5-6,9,11,13-15,23,25,27-28H,7-8,10,12,16-17H2,1-4H3,(H,29,30)/b19-11+,20-15+/t23-,25+,26+/m0/s1
InChIKey	CDIMKTSDCHCEQN-HIXCIXFFSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	(2S,3R)-3-farnesyl-2,3-dihydro-2,N^α-cyclo-L-tryptophan (CHEBI:52950) is a monocarboxylic acid (CHEBI:25384)
Incoming Relation(s)
	(2S,3R)-3-farnesyl-2,3-dihydro-2,N^α-cyclo-L-tryptophan residue (CHEBI:177368) is substituent group from (2S,3R)-3-farnesyl-2,3-dihydro-2,N^α-cyclo-L-tryptophan (CHEBI:52950)

IUPAC Name
(2S,3aR,8aS)-3a-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole-2-carboxylic acid

Synonyms	Source
3'-farnesyl-2',3'-dihydro-2',N2-cyclo-L-tryptophan	SUBMITTER
3'-farnesyl-2',N2-cyclotryptophan	SUBMITTER

Manual Xrefs	Databases
AA0500	RESID

Registry Numbers	Sources
Beilstein:11370019	Beilstein