LSM-39131 (CHEBI:127574)

CHEBI:127574 - LSM-39131

Formula	C21H28N2O4S
Net Charge	0
Average Mass	404.532
Monoisotopic Mass	404.17698
SMILES	CC=Cc1ccc([C@H]2[C@@H](CO)N(C(=O)CC3CC3)C23CN(S(C)(=O)=O)C3)cc1
InChI	InChI=1S/C21H28N2O4S/c1-3-4-15-7-9-17(10-8-15)20-18(12-24)23(19(25)11-16-5-6-16)21(20)13-22(14-21)28(2,26)27/h3-4,7-10,16,18,20,24H,5-6,11-14H2,1-2H3/t18-,20+/m1/s1
InChIKey	YXGWNASAQRCDCX-QUCCMNQESA-N

ChEBI Ontology

Outgoing Relation(s)
	LSM-39131 (CHEBI:127574) is a azetidines (CHEBI:38777)
	LSM-39131 (CHEBI:127574) is a benzenes (CHEBI:22712)
	LSM-39131 (CHEBI:127574) is a ring assembly (CHEBI:36820)

Manual Xrefs	Databases
LSM-39131	LINCS