LSM-39135 (CHEBI:127578)

CHEBI:127578 - LSM-39135

Formula	C25H31FN2O5S
Net Charge	0
Average Mass	490.597
Monoisotopic Mass	490.19377
SMILES	CC=Cc1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccc(F)c1)[C@H](C)CN([C@H](C)CO)S2(=O)=O
InChI	InChI=1S/C25H31FN2O5S/c1-5-7-19-10-11-24-22(12-19)33-23(17(2)14-28(18(3)16-29)34(24,31)32)15-27(4)25(30)20-8-6-9-21(26)13-20/h5-13,17-18,23,29H,14-16H2,1-4H3/t17-,18-,23-/m1/s1
InChIKey	HLWQBWVHAFMNAR-PMAPCBKXSA-N

ChEBI Ontology

Outgoing Relation(s)
	LSM-39135 (CHEBI:127578) is a carbonyl compound (CHEBI:36586)
	LSM-39135 (CHEBI:127578) is a organohalogen compound (CHEBI:17792)

Manual Xrefs	Databases
LSM-39135	LINCS