Chemical Components in the PDB

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4MP : Summary

Code

4MP

One-letter code

X

Molecule name

1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-[(4-methoxyphenyl)carbonyl]pyrrolidin-2-one
OpenEye OEToolkits 1.5.0 1-(4-methoxyphenyl)carbonylpyrrolidin-2-one

Formula

C12 H13 N O3

Formal charge

0

Molecular weight

219.237 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2N(C(=O)c1ccc(OC)cc1)CCC2
SMILES CACTVS 3.341 COc1ccc(cc1)C(=O)N2CCCC2=O
SMILES OpenEye OEToolkits 1.5.0 COc1ccc(cc1)C(=O)N2CCCC2=O
Canonical SMILES CACTVS 3.341 COc1ccc(cc1)C(=O)N2CCCC2=O
Canonical SMILES OpenEye OEToolkits 1.5.0 COc1ccc(cc1)C(=O)N2CCCC2=O

IUPAC InChI

InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3

IUPAC InChI key

ZXNRTKGTQJPIJK-UHFFFAOYSA-N
4MP

wwPDB Information

Atom count

29 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-08-15

Last modified at

2020-05-26

Status

Released

Obsoleted

Not Assigned