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V87 : Summary

Code

V87

One-letter code

X

Molecule name

N-(4-phenylbutyl)formamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(4-phenylbutyl)formamide
OpenEye OEToolkits 2.0.7 ~{N}-(4-phenylbutyl)methanamide

Formula

C11 H15 N O

Formal charge

0

Molecular weight

177.243 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(NCCCCc1ccccc1)=O
SMILES CACTVS 3.385 O=CNCCCCc1ccccc1
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CCCCNC=O
Canonical SMILES CACTVS 3.385 O=CNCCCCc1ccccc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CCCCNC=O

IUPAC InChI

InChI=1S/C11H15NO/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,12,13)

IUPAC InChI key

FSDTVSVBONVQBJ-UHFFFAOYSA-N
V87

wwPDB Information

Atom count

28 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-07-14

Last modified at

2020-09-11

Status

Released

Obsoleted

Not Assigned