roxifiban acetate (CHEBI:752402)

CHEBI:752402 - roxifiban acetate

Formula	C2H4O2.C21H29N5O6
Net Charge	0
Average Mass	507.544
Monoisotopic Mass	507.23291
SMILES	CC(=O)O.CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(c2ccc(C(=N)N)cc2)=NO1)C(=O)OC
InChI	InChI=1S/C21H29N5O6.C2H4O2/c1-3-4-9-31-21(29)25-17(20(28)30-2)12-24-18(27)11-15-10-16(26-32-15)13-5-7-14(8-6-13)19(22)23;1-2(3)4/h5-8,15,17H,3-4,9-12H2,1-2H3,(H3,22,23)(H,24,27)(H,25,29);1H3,(H,3,4)/t15-,17+;/m1./s1
InChIKey	WDEMHBVIYZGQCD-KALLACGZSA-N

ChEBI Ontology

Outgoing Relation(s)
	roxifiban acetate (CHEBI:752402) is a α-amino acid ester (CHEBI:46874)