Chemical Components in the PDB

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FHH : Summary

Code

FHH

One-letter code

X

Molecule name

methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate

Formula

C14 H18 N2 O4

Formal charge

0

Molecular weight

278.304 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O
SMILES OpenEye OEToolkits 2.0.6 COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O
Canonical SMILES CACTVS 3.385 COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O
Canonical SMILES OpenEye OEToolkits 2.0.6 COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O

IUPAC InChI

InChI=1S/C14H18N2O4/c1-20-12(17)6-3-7-15-13(18)10-8-9-4-2-5-11(9)16-14(10)19/h8H,2-7H2,1H3,(H,15,18)(H,16,19)

IUPAC InChI key

LFOKUSURFOQCKJ-UHFFFAOYSA-N
FHH

wwPDB Information

Atom count

38 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-07-06

Last modified at

2019-09-04

Status

Released

Obsoleted

Not Assigned