STN

2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID

Created:	2001-08-10
Last modified:	2011-06-04

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1 entries where STN is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	0

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Chemical Component Summary
Name	2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID
Systematic Name (OpenEye OEToolkits)	(2R)-2-[(hydroxy-methanoyl-amino)methyl]-4-methyl-pentanoic acid
Formula	C₈ H₁₅ N O₄
Molecular Weight	189.209
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(CC(C)C)CN(O)C=O
SMILES	CACTVS	3.341	CC(C)C[CH](CN(O)C=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C)CC(CN(C=O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	CC(C)C[C@H](CN(O)C=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)C[C@H](CN(C=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H15NO4/c1-6(2)3-7(8(11)12)4-9(13)5-10/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKey	InChI	1.03	LFMOJNDZFCHHPV-SSDOTTSWSA-N

Drug Info: DrugBank

DrugBank ID	DB03683
Name	2-{[Formyl(Hydroxy)Amino]Methyl}-4-Methylpentanoic Acid
Groups	experimental
Synonyms	2-{[Formyl(Hydroxy)Amino]Methyl}-4-Methylpentanoic Acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Matrix metalloproteinase-9	MSLWQPLVLVLLVLGCCFAAPRQRQSTLVLFPGDLRTNLTDRQLAEEYLY...	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