relacatib (CHEBI:748732)

CHEBI:748732 - relacatib

Formula	C27H32N4O6S
Net Charge	0
Average Mass	540.642
Monoisotopic Mass	540.20426
SMILES	CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O
InChI	InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
InChIKey	BWYBBMQLUKXECQ-GIVPXCGWSA-N

ChEBI Ontology

Outgoing Relation(s)
	relacatib (CHEBI:748732) is a leucine derivative (CHEBI:47003)

INN	Source
relacatib	WHO MedNet

Synonym	Source
SB-462795	ChEMBL

Citations