saralasin acetate (CHEBI:749295)

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CHEBI:749295 - saralasin acetate

Default Structure

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ChEBI ID	CHEBI:749295
ChEBI Name	saralasin acetate
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	H2O.C42H65N13O10.C2H4O2
Net Charge	0
Average Mass	990.130
Monoisotopic Mass	989.52943
SMILES	CC(=O)O.CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cncn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C.O
InChI	InChI=1S/C42H65N13O10.C2H4O2.H2O/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65;1-2(3)4;/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47);1H3,(H,3,4);1H2/t24-,28-,29-,30-,31-,33-,34-;;/m0../s1
InChIKey	YBZYNINTWCLDQA-UHKVWXOHSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	saralasin acetate (CHEBI:749295) is a polypeptide (CHEBI:15841)

Synonyms	Source
P-113	ChEMBL
Saralasin hydrated acetate	ChEMBL

Brand Name	Source
Sarenin	ChEMBL