CHEBI:60219 - benzylpenillic acid

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ChEBI Name benzylpenillic acid ChEBI ID CHEBI:60219 Definition A penillic acid having a benzyl substituent at the 5-position. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H18N2O4S Net Charge 0 Average Mass 334.39000 Monoisotopic Mass 334.09873 InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-10(8-9-6-4-3-5-7-9)17-11(14(19)20)13(18)23-16/h3-7,11-13H,8H2,1-2H3,(H,19,20)(H,21,22)/t11?,12-,13?/m0/s1 InChIKey PSPRNQOVLYLHSA-CPCZMJQVSA-N SMILES [H]C12SC(C)(C)[C@@H](N1C(Cc1ccccc1)=NC2C(O)=O)C(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing benzylpenillic acid (CHEBI:60219) is a penillic acid (CHEBI:7969) IUPAC Name (3S)-5-benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid Synonym Source penillic acid ChEBI Registry Numbers Types Sources 13093-87-3 CAS Registry Number ChemIDplus 94410 Beilstein Registry Number Beilstein Citation Type Source 13720937 PubMed citation Europe PMC Last Modified 19 June 2012