MX1

(2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID

Created:	2005-09-06
Last modified:	2024-09-27

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4 entries where MX1 is found as a standalone ligand1 entries where MX1 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	3
Bond Count	49
Aromatic Bond Count	6

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Chemical Component Summary
Name	(2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID
Synonyms	MOXALACTAM (HYDROLYZED)
Systematic Name (OpenEye OEToolkits)	(2R)-2-[(1R)-1-[[(2R)-2-(4-hydroxyphenyl)-3-oxidanyl-3-oxidanylidene-propanoyl]amino]-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-methylidene-2H-1,3-oxazine-4-carboxylic acid
Formula	C₁₈ H₁₈ N₂ O₁₀
Molecular Weight	422.343
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C(=O)O)C2N=C(\C(=C)CO2)C(=O)O
SMILES	CACTVS	3.370	CO[C](NC(=O)[CH](C(O)=O)c1ccc(O)cc1)([CH]2OCC(=C)C(=N2)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.2	COC(C1N=C(C(=C)CO1)C(=O)O)(C(=O)O)NC(=O)C(c2ccc(cc2)O)C(=O)O
Canonical SMILES	CACTVS	3.370	CO[C@](NC(=O)[C@H](C(O)=O)c1ccc(O)cc1)([C@H]2OCC(=C)C(=N2)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	CO[C@]([C@@H]1N=C(C(=C)CO1)C(=O)O)(C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C18H18N2O10/c1-8-7-30-16(19-12(8)15(25)26)18(29-2,17(27)28)20-13(22)11(14(23)24)9-3-5-10(21)6-4-9/h3-6,11,16,21H,1,7H2,2H3,(H,20,22)(H,23,24)(H,25,26)(H,27,28)/t11-,16-,18-/m1/s1
InChIKey	InChI	1.03	ZTOQXKUYWZBJLG-XNAIMREJSA-N

Drug Info: DrugBank

DrugBank ID	DB04740
Name	Moxalactam (hydrolyzed)
Groups	experimental
Synonyms	Moxalactam (hydrolyzed)

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Metallo-beta-lactamase L1	MRSTLLAFALAVALPAAHTSAAEVPLPQLRAYTVDASWLQPMAPLQIADH...	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