atecegatran (CHEBI:760238)

CHEBI:760238 - atecegatran

Formula	C21H21ClF2N4O4
Net Charge	0
Average Mass	466.872
Monoisotopic Mass	466.12194
SMILES	N=C(N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](O)c2cc(Cl)cc(OC(F)F)c2)cc1
InChI	InChI=1S/C21H21ClF2N4O4/c22-14-7-13(8-15(9-14)32-21(23)24)17(29)20(31)28-6-5-16(28)19(30)27-10-11-1-3-12(4-2-11)18(25)26/h1-4,7-9,16-17,21,29H,5-6,10H2,(H3,25,26)(H,27,30)/t16-,17+/m0/s1
InChIKey	QTUUCFVBSVJGOH-DLBZAZTESA-N

Roles Classification

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

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	atecegatran (CHEBI:760238) is a α-amino acid (CHEBI:33704)