Chemical Components in the PDB

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2T3 : Summary

Code

2T3

One-letter code

X

Molecule name

(2R,3R)-4-ANILINO-2,3-DIHYDROXY-4-OXOBUTANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R,3R)-2,3-dihydroxy-4-oxo-4-(phenylamino)butanoic acid
OpenEye OEToolkits 1.5.0 (2R,3R)-2,3-dihydroxy-4-oxo-4-phenylazanyl-butanoic acid

Formula

C10 H11 N O5

Formal charge

0

Molecular weight

225.198 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(Nc1ccccc1)C(O)C(O)C(=O)O
SMILES CACTVS 3.341 O[CH]([CH](O)C(=O)Nc1ccccc1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)NC(=O)C(C(C(=O)O)O)O
Canonical SMILES CACTVS 3.341 O[C@H]([C@@H](O)C(=O)Nc1ccccc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)NC(=O)[C@@H]([C@H](C(=O)O)O)O

IUPAC InChI

InChI=1S/C10H11NO5/c12-7(8(13)10(15)16)9(14)11-6-4-2-1-3-5-6/h1-5,7-8,12-13H,(H,11,14)(H,15,16)/t7-,8-/m1/s1

IUPAC InChI key

ZWXNRJCDXZFNLJ-HTQZYQBOSA-N
2T3

wwPDB Information

Atom count

27 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-03-14

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned