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benzylpenicilloate(1-)

Properties

Image

Occurences in reactions

MNX_ID

MNXM114402

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₆H₁₉N₂O₅S

charge

-1

mass

351.10202

reference

chebi:61220

InChIKey

HCYWNSXLUZRKJX-RWMBFGLXSA-M

InChI

InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/p-1/t11-,12-,13+/m0/s1

SMILES

CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)[O-])[NH2+][C@H]1C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61220 chebi:61220	benzylpenicilloate(1-) (2R,4S)-2-{(R)-carboxylato[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylate 4-carboxy-5,5-dimethyl-alpha-((phenylacetyl)amino)-2-thiazolidineacetic acid benzylpenicilloate benzylpenicilloate anion
sabiork.compound:24835 sabiorkM:24835 seed.compound:cpd16471 seedM:cpd16471 kegg.compound:C16672 keggC:C16672	Benzylpenicilloic acid
CHEBI:63418 chebi:63418	benzylpenicilloate(2-) (2R,4S)-2-{(R)-carboxylato[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylate benzylpenicilloate
CHEBI:61222 chebi:61222	benzylpenicilloic acid (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid 4-carboxy-5,5-dimethyl-alpha-((phenylacetyl)amino)-2-thiazolidineacetic acid D-benzylpenicilloic acid
keggC:M_C16672 seedM:M_cpd16471	secondary/obsolete/fantasy identifier