Chemical Components in the PDB

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FPM : Summary

Code

FPM

One-letter code

X

Molecule name

(5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Synonyms

Faropenem

Systematic names

ProgramVersionName
ACDLabs 10.04 (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OpenEye OEToolkits 1.5.0 (5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Formula

C12 H15 N O5 S

Formal charge

0

Molecular weight

285.316 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2N1C(=C(SC1C2C(O)C)C3OCCC3)C(=O)O
SMILES CACTVS 3.341 C[CH](O)[CH]1[CH]2SC(=C(N2C1=O)C(O)=O)[CH]3CCCO3
SMILES OpenEye OEToolkits 1.5.0 CC(C1C2N(C1=O)C(=C(S2)C3CCCO3)C(=O)O)O
Canonical SMILES CACTVS 3.341 C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C(O)=O)[C@H]3CCCO3
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O

IUPAC InChI

InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1

IUPAC InChI key

HGGAKXAHAYOLDJ-FHZUQPTBSA-N
FPM

wwPDB Information

Atom count

34 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-11-27

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned