Chemical Components in the PDB

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OH7 : Summary

Code

OH7

One-letter code

X

Molecule name

N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide
OpenEye OEToolkits 2.0.7 ~{N}-[4-[4-(hydroxymethyl)-1~{H}-imidazol-2-yl]butyl]ethanamide

Formula

C10 H17 N3 O2

Formal charge

0

Molecular weight

211.261 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(NC(C)=O)CCCc1ncc(CO)n1
SMILES CACTVS 3.385 CC(=O)NCCCCc1[nH]cc(CO)n1
SMILES OpenEye OEToolkits 2.0.7 CC(=O)NCCCCc1[nH]cc(n1)CO
Canonical SMILES CACTVS 3.385 CC(=O)NCCCCc1[nH]cc(CO)n1
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)NCCCCc1[nH]cc(n1)CO

IUPAC InChI

InChI=1S/C10H17N3O2/c1-8(15)11-5-3-2-4-10-12-6-9(7-14)13-10/h6,14H,2-5,7H2,1H3,(H,11,15)(H,12,13)

IUPAC InChI key

RGIIKOKBGRWBCV-UHFFFAOYSA-N
OH7

wwPDB Information

Atom count

32 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-06-24

Last modified at

2019-12-06

Status

Released

Obsoleted

Not Assigned