LN1

(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine

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as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries

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Chemical Component Summary
Name	(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine
Identifiers	(2S,3R)-4-[2-(3,4-dihydroxyphenyl)ethanoyloxy]-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid
Formula	C₂₂ H₂₂ N₂ O₉ S
Molecular Weight	490.483
Type	NON-POLYMER
Isomeric SMILES	C[C@](COC(=O)Cc1ccc(c(c1)O)O)([C@H](C(=O)O)Nc2c(cc3n2cccc3)C=O)[S@@](=O)O
InChI	InChI=1S/C22H22N2O9S/c1-22(34(31)32,12-33-18(28)9-13-5-6-16(26)17(27)8-13)19(21(29)30)23-20-14(11-25)10-15-4-2-3-7-24(15)20/h2-8,10-11,19,23,26-27H,9,12H2,1H3,(H,29,30)(H,31,32)/t19-,22-/m0/s1
InChIKey	DEOZLEGRVHDNKC-UGKGYDQZSA-N

Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	3
Bond Count	58
Aromatic Bond Count	16

Drug Info: DrugBank

DrugBank ID	DB08116
Name	(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine
Groups	experimental
Synonyms	(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-lactamase SHV-1	MRYIRLCIISLLATLPLAVHASPQPLEQIKLSESQLSGRVGMIEMDLASG...	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