FNT

(2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid

Created:	2013-06-04
Last modified:	2013-06-19

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1 entries where FNT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	11

2D diagram of FNT

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Chemical Component Summary
Name	(2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid
Systematic Name (OpenEye OEToolkits)	(2S)-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]propanoic acid
Formula	C₁₃ H₁₁ Cl N₂ O₄
Molecular Weight	294.69
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-]C(=O)C(NC(=O)c1nc(Cl)c2c(c1O)cccc2)C
SMILES	CACTVS	3.370	C[CH](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(C(=O)O)NC(=O)c1c(c2ccccc2c(n1)Cl)O
Canonical SMILES	CACTVS	3.370	C[C@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@@H](C(=O)O)NC(=O)c1c(c2ccccc2c(n1)Cl)O
InChI	InChI	1.03	InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/p-1/t6-/m0/s1
InChIKey	InChI	1.03	QJWFWOUODUTVCE-LURJTMIESA-M

Related Resource References

Resource Name	Reference
Pharos	CHEMBL485022
PubChem	44591754
ChEMBL	CHEMBL485022

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