napsagatran (CHEBI:756234)

CHEBI:756234 - napsagatran

Formula	H2O.C26H34N6O6S
Net Charge	0
Average Mass	576.676
Monoisotopic Mass	576.23662
SMILES	N=C(N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)O)C2CC2)C1.O
InChI	InChI=1S/C26H34N6O6S.H2O/c27-26(28)31-11-3-4-17(15-31)14-29-23(33)13-22(25(36)32(16-24(34)35)20-8-9-20)30-39(37,38)21-10-7-18-5-1-2-6-19(18)12-21;/h1-2,5-7,10,12,17,20,22,30H,3-4,8-9,11,13-16H2,(H3,27,28)(H,29,33)(H,34,35);1H2/t17-,22-;/m0./s1
InChIKey	TYAMPCPJIDBUQW-ZLLYMXMVSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	napsagatran (CHEBI:756234) is a peptide (CHEBI:16670)

INN	Source
napsagatran	WHO MedNet