sb-423562 (CHEBI:749153)

CHEBI:749153 - sb-423562

Formula	C26H32N2O4
Net Charge	0
Average Mass	436.552
Monoisotopic Mass	436.23621
SMILES	CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(=O)O)ccc1C#N
InChI	InChI=1S/C26H32N2O4/c1-26(2,14-19-11-20-5-3-4-6-21(20)12-19)28-16-23(29)17-32-24-13-18(8-10-25(30)31)7-9-22(24)15-27/h3-7,9,13,19,23,28-29H,8,10-12,14,16-17H2,1-2H3,(H,30,31)/t23-/m1/s1
InChIKey	NJBFJCJKWWIKRD-HSZRJFAPSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	sb-423562 (CHEBI:749153) is a benzenes (CHEBI:22712)
	sb-423562 (CHEBI:749153) is a monocarboxylic acid (CHEBI:25384)

Citations