Chemical Components in the PDB

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ANW : Summary

Code

ANW

One-letter code

X

Molecule name

2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 11.02 2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
OpenEye OEToolkits 1.6.1 2-azanyl-5-oxo-7-propan-2-yl-chromeno[2,3-b]pyridine-3-carboxylic acid

Formula

C16 H14 N2 O4

Formal charge

0

Molecular weight

298.293 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 O=C(O)c1cc2C(=O)c3cc(ccc3Oc2nc1N)C(C)C
SMILES CACTVS 3.352 CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O
Canonical SMILES CACTVS 3.352 CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O

IUPAC InChI

InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)

IUPAC InChI key

SGRYPYWGNKJSDL-UHFFFAOYSA-N
ANW

wwPDB Information

Atom count

36 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-10-09

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned