NWH

N-[(2S)-heptan-2-yl]formamide

Created:	2017-05-02
Last modified:	2020-06-05

Find Related PDB Entry
1 entries where NWH is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-[(2S)-heptan-2-yl]formamide
Synonyms	(S)-N-1-methylhexylformamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(2~{S})-heptan-2-yl]methanamide
Formula	C₈ H₁₇ N O
Molecular Weight	143.227
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCCCCC(C)NC=O
SMILES	CACTVS	3.385	CCCCC[CH](C)NC=O
SMILES	OpenEye OEToolkits	2.0.6	CCCCCC(C)NC=O
Canonical SMILES	CACTVS	3.385	CCCCC[C@H](C)NC=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCCCC[C@H](C)NC=O
InChI	InChI	1.03	InChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m0/s1
InChIKey	InChI	1.03	GFVRKPKAQHTAQK-QMMMGPOBSA-N

Drug Info: DrugBank

DrugBank ID	DB03061
Name	(R)-N-(1-Methyl-Hexyl)-Formamide
Groups	experimental
Synonyms	(R)-N-(1-Methyl-Hexyl)-Formamide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Alcohol dehydrogenase 1C	MSTAGKVIKCKAAVLWELKKPFSIEEVEVAPPKAHEVRIKMVAAGICRSD...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682