PDB Chemical Component MF2

Ideal Model

Chemical Description

Name CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINE
Synonyms MF268
Formula C15 H30 N2 O2
Formal charge 0
Molecular weight 270.411 g/mol
Component type NON-POLYMER

Chemical features

Atom count 49
Chiral atom count 2
Chiral atoms C3 C5
Bond count 49
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) N-{8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl}formamide
Systematic name (OpenEye OEToolkits) N-[8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl]methanamide

Chemical Descriptors

Stereo SMILES (CACTVS) C[C@@H]1CN(CCCCCCCCNC=O)C[C@H](C)O1
SMILES (CACTVS) C[CH]1CN(CCCCCCCCNC=O)C[CH](C)O1
Stereo SMILES (OpenEye) C[C@@H]1CN(C[C@@H](O1)C)CCCCCCCCNC=O
InChI descriptor InChI=1/C15H30N2O2/c1-14-11-17(12-15(2)19-14)10-8-6-4-3-5-7-9-16-13-18/h13-15H,3-12H2,1-2H3,(H,16,18)/t14-,15+/f/h16H
InChIKey descriptor UXVBAZRPAJEAHR-HIQDMIDBDP

Status Information

Last modified 2008-10-14
Created 1999-07-08
Release status REL
Model PDB code 1OCE
Processing site RCSB