N-acetyl-S-(8-methoxy-4H-thiazolo[5,4-b]indol-2-yl)-L-cysteine (CHEBI:215004)

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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	N-acetyl-S-(8-methoxy-4H-thiazolo[5,4-b]indol-2-yl)-L-cysteine

ChEBI ID	CHEBI:215004

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H15N3O4S2

Net Charge

Average Mass

365.420

Monoisotopic Mass

365.05040

InChI

InChI=1S/C15H15N3O4S2/c1-7(19)16-9(14(20)21)6-23-15-18-12-11-8(17-13(12)24-15)4-3-5-10(11)22-2/h3-5,9,17H,6H2,1-2H3,(H,16,19)(H,20,21)/t9-/m0/s1

InChIKey

CCYURQHTZWFINX-VIFPVBQESA-N

SMILES

S1C(SC[C@H](NC(=O)C)C(=O)O)=NC2=C1NC=3C=CC=C(C23)OC

Metabolite of Species	Details
Colletotrichum (NCBI:txid5455)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	N-acetyl-S-(8-methoxy-4H-thiazolo[5,4-b]indol-2-yl)-L-cysteine (CHEBI:215004) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name

(2R)-2-acetamido-3-[(8-methoxy-4H-[1,3]thiazolo[5,4-b]indol-2-yl)sulanyl]propanoic acid