Chemical Components in the PDB

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L1V : Summary

Code

L1V

One-letter code

X

Molecule name

4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
OpenEye OEToolkits 2.0.7 4-[(1~{R},2~{S})-2-(2-hydroxy-2-oxoethyl)cyclopentyl]carbonylbenzoic acid

Formula

C15 H16 O5

Formal charge

0

Molecular weight

276.285 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1CC(C(CC(=O)O)C1)C(c2ccc(cc2)C(O)=O)=O
SMILES CACTVS 3.385 OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(cc2)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C(=O)C2CCCC2CC(=O)O)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)C[C@@H]1CCC[C@H]1C(=O)c2ccc(cc2)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C(=O)[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O

IUPAC InChI

InChI=1S/C15H16O5/c16-13(17)8-11-2-1-3-12(11)14(18)9-4-6-10(7-5-9)15(19)20/h4-7,11-12H,1-3,8H2,(H,16,17)(H,19,20)/t11-,12+/m0/s1

IUPAC InChI key

AIBKYDBZFDNIIN-NWDGAFQWSA-N
L1V

wwPDB Information

Atom count

36 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-01-31

Last modified at

2020-01-31

Status

Released

Obsoleted

Not Assigned