inogatran (CHEBI:748476)

We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.

CHEBI:748476 - inogatran

Formula	C21H38N6O4
Net Charge	0
Average Mass	438.573
Monoisotopic Mass	438.29545
SMILES	N=C(N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O
InChI	InChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)/t16-,17+/m1/s1
InChIKey	CDPROXZBMHOBTQ-SJORKVTESA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	inogatran (CHEBI:748476) is a dipeptide (CHEBI:46761)

INN	Source
inogatran	WHO MedNet

Citations