efegatran sulfate (CHEBI:748470)

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CHEBI:748470 - efegatran sulfate

Formula	H2O4S.C21H32N6O3
Net Charge	0
Average Mass	514.605
Monoisotopic Mass	514.22097
SMILES	CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(=N)N.O=S(=O)(O)O
InChI	InChI=1S/C21H32N6O3.H2O4S/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23;1-5(2,3)4/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25);(H2,1,2,3,4)/t16-,17+,18-;/m0./s1
InChIKey	BISKEOIROPAOGY-RXQQAGQTSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	efegatran sulfate (CHEBI:748470) is a dipeptide (CHEBI:46761)

Citations