petesicatib (CHEBI:757107)

CHEBI:757107 - petesicatib

Formula	C25H23F6N5O4S
Net Charge	0
Average Mass	603.545
Monoisotopic Mass	603.13749
SMILES	Cn1cc(-c2ccc(S(=O)(=O)[C@@H]3C[C@@H](C(=O)NC4(C#N)CC4)N(C(=O)C4(C(F)(F)F)CC4)C3)c(C(F)(F)F)c2)cn1
InChI	InChI=1S/C25H23F6N5O4S/c1-35-11-15(10-33-35)14-2-3-19(17(8-14)24(26,27)28)41(39,40)16-9-18(20(37)34-22(13-32)4-5-22)36(12-16)21(38)23(6-7-23)25(29,30)31/h2-3,8,10-11,16,18H,4-7,9,12H2,1H3,(H,34,37)/t16-,18+/m1/s1
InChIKey	KXAAIORSMACJSI-AEFFLSMTSA-N

ChEBI Ontology

Outgoing Relation(s)
	petesicatib (CHEBI:757107) is a proline derivative (CHEBI:26273)

INN	Source
petesicatib	WHO MedNet

Citations