Chemical Components in the PDB

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OTZ : Summary

Code

OTZ

One-letter code

GSC

Molecule name

2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid

Formula

C8 H7 N3 O3 S

Formal charge

0

Molecular weight

225.224 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NCc1occ(n1)c2scc(n2)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 c1c(nc(o1)CN)c2nc(cs2)C(=O)O
Canonical SMILES CACTVS 3.385 NCc1occ(n1)c2scc(n2)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 c1c(nc(o1)CN)c2nc(cs2)C(=O)O

IUPAC InChI

InChI=1S/C8H7N3O3S/c9-1-6-10-4(2-14-6)7-11-5(3-15-7)8(12)13/h2-3H,1,9H2,(H,12,13)

IUPAC InChI key

HIYXIJXAZXCAKM-UHFFFAOYSA-N
OTZ

wwPDB Information

Atom count

22 (15 without Hydrogen)

Polymer type

Amino Acid

Type description

peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

GLY SER CYS

Defined at

2018-06-04

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned