GNB

S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where GNB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	3
Bond Count	57
Aromatic Bond Count	6

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Chemical Component Summary
Name	S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[hydroxy-[(4-nitrophenyl)methoxy]methyl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
Formula	C₁₈ H₂₄ N₄ O₁₀ S
Molecular Weight	488.469
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC(OCc1ccc(cc1)[N+]([O-])=O)O
SMILES	CACTVS	3.341	N[CH](CCC(=O)N[CH](CS[CH](O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1COC(O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.341	N[C@@H](CCC(=O)N[C@@H](CS[C@@H](O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1COC(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C18H24N4O10S/c19-12(17(27)28)5-6-14(23)21-13(16(26)20-7-15(24)25)9-33-18(29)32-8-10-1-3-11(4-2-10)22(30)31/h1-4,12-13,18,29H,5-9,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13-,18?/m0/s1
InChIKey	InChI	1.03	QYFGPQQSJQOGEO-TVJRNMROSA-N

Drug Info: DrugBank

DrugBank ID	DB03130
Name	S-P-Nitrobenzyloxycarbonylglutathione
Groups	experimental
Synonyms	S-P-Nitrobenzyloxycarbonylglutathione

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Lactoylglutathione lyase	MAEPQPPSGGLTDEAALSCCSDADPSTKDFLLQQTMLRVKDPKKSLDFYT...	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