23C

2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

Created:	2007-12-17
Last modified:	2011-06-04

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1 entries where 23C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	47
Aromatic Bond Count	17

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Chemical Component Summary
Name	2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-[(2R)-1-hydroxy-3-naphthalen-1-yl-1-oxo-propan-2-yl]-1,3-dioxo-isoindole-5-carboxylic acid
Formula	C₂₂ H₁₅ N O₆
Molecular Weight	389.358
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N2C(=O)c1ccc(cc1C2=O)C(=O)O)Cc4c3ccccc3ccc4
SMILES	CACTVS	3.341	OC(=O)[CH](Cc1cccc2ccccc12)N3C(=O)c4ccc(cc4C3=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cccc2CC(C(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)[C@@H](Cc1cccc2ccccc12)N3C(=O)c4ccc(cc4C3=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cccc2C[C@H](C(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O
InChI	InChI	1.03	InChI=1S/C22H15NO6/c24-19-16-9-8-14(21(26)27)10-17(16)20(25)23(19)18(22(28)29)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18H,11H2,(H,26,27)(H,28,29)/t18-/m1/s1
InChIKey	InChI	1.03	CZNPWASYMRBJCX-GOSISDBHSA-N

Drug Info: DrugBank

DrugBank ID	DB06922
Name	2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Groups	experimental
Synonyms	2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-lactamase	MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIY...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682