Chemical Components in the PDB

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ZVH : Summary

Code

ZVH

One-letter code

X

Molecule name

(1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid
OpenEye OEToolkits 2.0.7 (1~{S},2~{R})-2-thiophen-3-ylcyclopentane-1-carboxylic acid

Formula

C10 H12 O2 S

Formal charge

0

Molecular weight

196.266 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C1CCCC1c1ccsc1
SMILES CACTVS 3.385 OC(=O)[CH]1CCC[CH]1c2cscc2
SMILES OpenEye OEToolkits 2.0.7 c1cscc1C2CCCC2C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)[C@H]1CCC[C@H]1c2cscc2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cscc1[C@@H]2CCC[C@@H]2C(=O)O

IUPAC InChI

InChI=1S/C10H12O2S/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H,11,12)/t8-,9-/m0/s1

IUPAC InChI key

GTNCFHPRVUWUBC-IUCAKERBSA-N
ZVH

wwPDB Information

Atom count

25 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-07-05

Last modified at

2023-07-21

Status

Released

Obsoleted

Not Assigned