LSM-39431 (CHEBI:127875)

CHEBI:127875 - LSM-39431

Formula	C22H31N3O3
Net Charge	0
Average Mass	385.508
Monoisotopic Mass	385.23654
SMILES	CC=Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CNC(=O)NC(C)C)cc1
InChI	InChI=1S/C22H31N3O3/c1-4-5-15-6-8-16(9-7-15)20-18(12-23-22(28)24-14(2)3)25(19(20)13-26)21(27)17-10-11-17/h4-9,14,17-20,26H,10-13H2,1-3H3,(H2,23,24,28)/t18-,19+,20+/m0/s1
InChIKey	ZSUGEGVLQGZVEF-XUVXKRRUSA-N

ChEBI Ontology

Outgoing Relation(s)
	LSM-39431 (CHEBI:127875) is a azetidines (CHEBI:38777)
	LSM-39431 (CHEBI:127875) is a benzenes (CHEBI:22712)
	LSM-39431 (CHEBI:127875) is a ring assembly (CHEBI:36820)

Manual Xrefs	Databases
LSM-39431	LINCS