firsocostat (CHEBI:755351)

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CHEBI:755351 - firsocostat

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ChEBI ID	CHEBI:755351
ChEBI Name	firsocostat
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C28H31N3O8S
Net Charge	0
Average Mass	569.636
Monoisotopic Mass	569.18319
SMILES	COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1
InChI	InChI=1S/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H,33,34)/t20-/m0/s1
InChIKey	ZZWWXIBKLBMSCS-FQEVSTJZSA-N

ChEBI Ontology

Outgoing Relation(s)
	firsocostat (CHEBI:755351) has functional parent α-amino acid (CHEBI:33704)
	firsocostat (CHEBI:755351) is a organonitrogen compound (CHEBI:35352)
	firsocostat (CHEBI:755351) is a organooxygen compound (CHEBI:36963)

INN	Source
firsocostat	WHO MedNet

Synonyms	Source
GS-0976	ChEMBL
GS-ACC	ChEMBL
ND-630	ChEMBL
Ndi-010976	ChEMBL

Citations