Chemical Components in the PDB

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XCP : Summary

Code

XCP

One-letter code

X

Molecule name

(1S,2S)-2-aminocyclopentanecarboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (1S,2S)-2-aminocyclopentanecarboxylic acid
OpenEye OEToolkits 1.7.6 (1S,2S)-2-azanylcyclopentane-1-carboxylic acid

Formula

C6 H11 N O2

Formal charge

0

Molecular weight

129.157 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C1CCCC1N
SMILES CACTVS 3.370 N[CH]1CCC[CH]1C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C1CC(C(C1)N)C(=O)O
Canonical SMILES CACTVS 3.370 N[C@H]1CCC[C@@H]1C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C1C[C@@H]([C@H](C1)N)C(=O)O

IUPAC InChI

InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1

IUPAC InChI key

JWYOAMOZLZXDER-WHFBIAKZSA-N
XCP

wwPDB Information

Atom count

20 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

Yes

Standard parent

UNK

Defined at

2008-02-05

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned