Chemical Components in the PDB

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NMH : Summary

Code

NMH

One-letter code

X

Molecule name

(R)-N-(1-METHYL-HEXYL)-FORMAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-[(1R)-1-methylhexyl]formamide
OpenEye OEToolkits 1.5.0 N-[(2R)-heptan-2-yl]methanamide

Formula

C8 H17 N O

Formal charge

0

Molecular weight

143.227 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CNC(CCCCC)C
SMILES CACTVS 3.341 CCCCC[CH](C)NC=O
SMILES OpenEye OEToolkits 1.5.0 CCCCCC(C)NC=O
Canonical SMILES CACTVS 3.341 CCCCC[C@@H](C)NC=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCC[C@@H](C)NC=O

IUPAC InChI

InChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m1/s1

IUPAC InChI key

GFVRKPKAQHTAQK-MRVPVSSYSA-N
NMH

wwPDB Information

Atom count

27 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-04-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned