Chemical Components in the PDB

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8LJ : Summary

Code

8LJ

One-letter code

P

Molecule name

(2S)-2,3-dihydro-1H-pyrrole-2-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
OpenEye OEToolkits 2.0.6 (2~{S})-2,3-dihydro-1~{H}-pyrrole-2-carboxylic acid

Formula

C5 H7 N O2

Formal charge

0

Molecular weight

113.115 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(=O)(O)C1NC=CC1
SMILES CACTVS 3.385 OC(=O)[CH]1CC=CN1
SMILES OpenEye OEToolkits 2.0.6 C1C=CNC1C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)[C@@H]1CC=CN1
Canonical SMILES OpenEye OEToolkits 2.0.6 C1C=CN[C@@H]1C(=O)O

IUPAC InChI

InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1,3-4,6H,2H2,(H,7,8)/t4-/m0/s1

IUPAC InChI key

NXOIMAMHRHDCFR-BYPYZUCNSA-N
8LJ

wwPDB Information

Atom count

15 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

PRO

Defined at

2017-02-13

Last modified at

2018-02-09

Status

Released

Obsoleted

Not Assigned