(2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate (CHEBI:140652)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate

ChEBI ID	CHEBI:140652

ChEBI ASCII Name	(2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate

Stars	This entity has been manually annotated by a third party.

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C12H9N2O2

Net Charge

-1

Average Mass

213.213

Monoisotopic Mass

213.06695

InChI

InChI=1S/C12H10N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,(H,15,16)/p-1/t11-/m0/s1

InChIKey

UBSZGFBFCQBSCZ-NSHDSACASA-M

SMILES

C1(=CNC2=C1C=CC=C2)C[C@@H](C(=O)[O-])[N+]#[C-]

ChEBI Ontology
Outgoing	(2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate (CHEBI:140652) has functional parent L-tryptophan (CHEBI:16828) (2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate (CHEBI:140652) is a organic molecular entity (CHEBI:50860)

Synonyms	Sources
(2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate	UniProt
L-tryptophan isonitrile	SUBMITTER