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benzylpenicillenic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM43681

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₆H₁₈N₂O₄S

charge

mass

334.09873

reference

InChIKey

WGIWOHWWPXKJMS-ZDUSSCGKSA-N

InChI

InChI=1S/C16H18N2O4S/c1-16(2,23)13(14(19)20)17-9-11-15(21)22-12(18-11)8-10-6-4-3-5-7-10/h3-7,9,13,17,23H,8H2,1-2H3,(H,19,20)/t13-/m0/s1

SMILES

CC(C)(S)[C@@H](NC=C1N=C(Cc2ccccc2)OC1=O)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60209 chebi:60209	benzylpenicillenic acid N-[(2-benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]-3-sulfanyl-D-valine
CHEBI:60541 chebi:60541	benzylpenicillenate (2S)-2-{[(2-benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]amino}-3-methyl-3-sulfanylbutanoate N-[(2-benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]-3-sulfanyl-D-valinate N-[(2-benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]-3-sulfanyl-D-valine anion benzylpenicillenic acid anion penicillenate