htl-0022562 (CHEBI:758111)

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CHEBI:758111 - htl-0022562

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ChEBI ID	CHEBI:758111
ChEBI Name	htl-0022562
Stars
Last Modified	30 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C40H49N11O5
Net Charge	0
Average Mass	763.904
Monoisotopic Mass	763.39181
SMILES	Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc23)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(c3ccncc3)CC2)cc2cnnc12
InChI	InChI=1S/C40H49N11O5/c1-26-21-28(22-29-25-44-48-34(26)29)24-32(46-38(54)51-15-8-40(9-16-51)31-3-2-10-43-35(31)47-39(55)56-40)36(52)45-33(23-27-4-11-41-12-5-27)37(53)50-19-17-49(18-20-50)30-6-13-42-14-7-30/h2-3,6-7,10,13-14,21-22,25,27,32-33,41H,4-5,8-9,11-12,15-20,23-24H2,1H3,(H,44,48)(H,45,52)(H,46,54)(H,43,47,55)/t32-,33+/m1/s1
InChIKey	LIPVCPUZWNTQHV-SAIUNTKASA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	htl-0022562 (CHEBI:758111) is a dipeptide (CHEBI:46761)

Synonyms	Source
HTL-0022562	ChEMBL
HTL0022562	ChEMBL
HTL-22562	ChEMBL
HTL22562	ChEMBL

Citations