EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:748475 - napsagatran anhydrous

Default Structure
ChEBI IDCHEBI:748475
ChEBI Namenapsagatran anhydrous
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC26H34N6O6S
Net Charge0
Average Mass558.661
Monoisotopic Mass558.22605
SMILESN=C(N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)O)C2CC2)C1
InChIInChI=1S/C26H34N6O6S/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)/t17-,22-/m0/s1
InChIKeyBYDKEYCXCIVOOV-JTSKRJEESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
napsagatran anhydrous (CHEBI:748475) is a peptide (CHEBI:16670)
Synonyms  Source
Napsagatran anhydrousChEMBL
Ro 46-6240ChEMBL
Citations