Chemical Components in the PDB

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FYK : Summary

Code

FYK

One-letter code

X

Molecule name

3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-(5-chloranyl-6-cyclopropyloxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid

Formula

C13 H12 Cl N O5

Formal charge

0

Molecular weight

297.691 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)CCN1C(=O)Oc2cc(OC3CC3)c(Cl)cc12
SMILES OpenEye OEToolkits 2.0.6 c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)CCN1C(=O)Oc2cc(OC3CC3)c(Cl)cc12
Canonical SMILES OpenEye OEToolkits 2.0.6 c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O

IUPAC InChI

InChI=1S/C13H12ClNO5/c14-8-5-9-11(6-10(8)19-7-1-2-7)20-13(18)15(9)4-3-12(16)17/h5-7H,1-4H2,(H,16,17)

IUPAC InChI key

AYXQPTCYJAJHBG-UHFFFAOYSA-N
FYK

wwPDB Information

Atom count

32 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-01-31

Last modified at

2017-04-14

Status

Released

Obsoleted

Not Assigned