Chemical Components in the PDB

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2UZ : Summary

Code

2UZ

One-letter code

X

Molecule name

(2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
OpenEye OEToolkits 1.7.6 2-(1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Formula

C7 H10 N2 O4 S

Formal charge

0

Molecular weight

218.23 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)C1SCC=C(C(=O)O)N1
SMILES CACTVS 3.370 N[CH]([CH]1NC(=CCS1)C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C1C=C(NC(S1)C(C(=O)O)N)C(=O)O
Canonical SMILES CACTVS 3.370 N[C@@H]([C@@H]1NC(=CCS1)C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C1C=C(NC(S1)C(C(=O)O)N)C(=O)O

IUPAC InChI

InChI=1S/C7H10N2O4S/c8-4(7(12)13)5-9-3(6(10)11)1-2-14-5/h1,4-5,9H,2,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1

IUPAC InChI key

ILCKCFSUIJSDAX-CRCLSJGQSA-N
2UZ

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-02-17

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned