Chemical Components in the PDB

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RT0 : Summary

Code

RT0

One-letter code

P

Molecule name

(2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 (2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid

Formula

C13 H13 F N4 O2

Formal charge

0

Molecular weight

276.266 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.370 OC(=O)[CH]1C[CH](CN1)n2cc(nn2)c3ccc(F)cc3
SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1c2cn(nn2)C3CC(NC3)C(=O)O)F
Canonical SMILES CACTVS 3.370 OC(=O)[C@@H]1C[C@@H](CN1)n2cc(nn2)c3ccc(F)cc3
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1c2cn(nn2)[C@H]3C[C@H](NC3)C(=O)O)F

Is part of

TDV
RT0

wwPDB Information

Atom count

33 (20 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PRO

Defined at

2013-04-23

Last modified at

2013-04-26

Status

Released

Obsoleted

Not Assigned