Chemical Components in the PDB

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UOV : Summary

Code

UOV

One-letter code

X

Molecule name

N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
OpenEye OEToolkits 2.0.7 ~{N}-[4-(4-methylphenyl)phenyl]-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide

Formula

C21 H24 N2 O2

Formal charge

0

Molecular weight

336.427 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1N(CCC2(C1)CCO2)C(=O)Nc4ccc(c3ccc(C)cc3)cc4
SMILES CACTVS 3.385 Cc1ccc(cc1)c2ccc(NC(=O)N3CCC4(CCO4)CC3)cc2
SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3CCC4(CC3)CCO4
Canonical SMILES CACTVS 3.385 Cc1ccc(cc1)c2ccc(NC(=O)N3CCC4(CCO4)CC3)cc2
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3CCC4(CC3)CCO4

IUPAC InChI

InChI=1S/C21H24N2O2/c1-16-2-4-17(5-3-16)18-6-8-19(9-7-18)22-20(24)23-13-10-21(11-14-23)12-15-25-21/h2-9H,10-15H2,1H3,(H,22,24)

IUPAC InChI key

WYXWIBFERBQYBG-UHFFFAOYSA-N
UOV

wwPDB Information

Atom count

49 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-05-26

Last modified at

2020-10-16

Status

Released

Obsoleted

Not Assigned