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4GY : Summary

Code

4GY

One-letter code

X

Molecule name

4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide
OpenEye OEToolkits 1.9.2 4-azanyl-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide

Formula

C10 H16 N4 O2

Formal charge

0

Molecular weight

224.26 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Nc1nonc1C(=O)NCC2CCCCC2
SMILES CACTVS 3.385 Nc1nonc1C(=O)NCC2CCCCC2
SMILES OpenEye OEToolkits 1.9.2 C1CCC(CC1)CNC(=O)c2c(non2)N
Canonical SMILES CACTVS 3.385 Nc1nonc1C(=O)NCC2CCCCC2
Canonical SMILES OpenEye OEToolkits 1.9.2 C1CCC(CC1)CNC(=O)c2c(non2)N

IUPAC InChI

InChI=1S/C10H16N4O2/c11-9-8(13-16-14-9)10(15)12-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,14)(H,12,15)

IUPAC InChI key

LMUMGZXENBDFGR-UHFFFAOYSA-N
4GY

wwPDB Information

Atom count

32 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-03-18

Last modified at

2016-03-11

Status

Released

Obsoleted

Not Assigned