Chemical Components in the PDB

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PDM : Summary

Code

PDM

One-letter code

X

Molecule name

4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (4S)-4-{[4-(2,5-dioxopyrrolidin-1-yl)phenyl]amino}-4-hydroxybutanoic acid
OpenEye OEToolkits 1.5.0 4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]amino]-4-hydroxy-butanoic acid

Formula

C14 H16 N2 O5

Formal charge

0

Molecular weight

292.287 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCC(O)Nc1ccc(cc1)N2C(=O)CCC2=O
SMILES CACTVS 3.341 O[CH](CCC(O)=O)Nc1ccc(cc1)N2C(=O)CCC2=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O
Canonical SMILES CACTVS 3.341 O[C@@H](CCC(O)=O)Nc1ccc(cc1)N2C(=O)CCC2=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O

IUPAC InChI

InChI=1S/C14H16N2O5/c17-11(5-8-14(20)21)15-9-1-3-10(4-2-9)16-12(18)6-7-13(16)19/h1-4,11,15,17H,5-8H2,(H,20,21)/t11-/m0/s1

IUPAC InChI key

SUETUOGYOWOLNJ-NSHDSACASA-N
PDM

wwPDB Information

Atom count

37 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-02-06

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned