Chemical Components in the PDB

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OHM : Summary

Code

OHM

One-letter code

X

Molecule name

3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]dodecanamide
OpenEye OEToolkits 1.5.0 3-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]dodecanamide

Formula

C16 H28 N2 O3

Formal charge

0

Molecular weight

296.405 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1NCCC1NC(=O)CC(=O)CCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCC(=O)CC(=O)N[CH]1CCNC1=O
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCC(=O)CC(=O)NC1CCNC1=O
Canonical SMILES CACTVS 3.341 CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O

IUPAC InChI

InChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-13(19)12-15(20)18-14-10-11-17-16(14)21/h14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1

IUPAC InChI key

VEYZCVBECUYIJZ-AWEZNQCLSA-N
OHM

wwPDB Information

Atom count

49 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-11-10

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned