Benzylpenicillenic acid
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Benzylpenicillenic acid
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CAS No:
3264-88-8
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Formula:
C16H18N2O4S
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Chemical Name:
Benzylpenicillenic acid
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Synonyms:
Valine,3-mercapto-N-[[5-oxo-2-(phenylmethyl)-4(5H)-oxazolylidene]methyl]-;Valine,N-[(2-benzyl-5-oxo-2-oxazolin-4-ylidene)methyl]-3-mercapto-;3-Mercapto-N-[[5-oxo-2-(phenylmethyl)-4(5H)-oxazolylidene]methyl]valine;2-Benzylpenicillenic acid;Penicillenic acid,2-(phenylmethyl)-;5(4H)-Oxazolone,4-[[(1-carboxy-2-mercapto-2-methylpropyl)amino]methylene]-2-(phenylmethyl)-;Benzylpenicillenic acid;DL-Benzylpenicillenic acid;32347-08-3
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CAS No:
Description
ChEBI: A penicillenic acid having a benzyl substituent at the 2-position on the oxazolone ring.
Computed Properties
Molecular Weight:334.4
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:334.09872823
Monoisotopic Mass:334.09872823
Topological Polar Surface Area:96.9
Heavy Atom Count:23
Complexity:438
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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