6BD

(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid

Created:	2009-04-06
Last modified:	2020-06-05

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2 entries where 6BD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	13

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Chemical Component Summary
Name	(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid
Synonyms	(S)-3-(9H-fluoren-9-ylideneaminooxy)-2-methylpropanoic acid
Systematic Name (OpenEye OEToolkits)	(2S)-3-(fluoren-9-ylideneamino)oxy-2-methyl-propanoic acid
Formula	C₁₇ H₁₅ N O₃
Molecular Weight	281.306
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(C)CO\N=C3/c1ccccc1c2c3cccc2
SMILES	CACTVS	3.341	C[CH](CON=C1c2ccccc2c3ccccc13)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(CON=C1c2ccccc2-c3c1cccc3)C(=O)O
Canonical SMILES	CACTVS	3.341	C[C@@H](CON=C1c2ccccc2c3ccccc13)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)O
InChI	InChI	1.03	InChI=1S/C17H15NO3/c1-11(17(19)20)10-21-18-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKey	InChI	1.03	ZHFDVDMCVXUGGF-NSHDSACASA-N

Drug Info: DrugBank

DrugBank ID	DB07201
Name	(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid
Groups	experimental
Synonyms	(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Transthyretin	MASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAV...	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