Chemical Components in the PDB

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V4L : Summary

Code

V4L

One-letter code

X

Molecule name

N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide
OpenEye OEToolkits 2.0.7 2-[methyl-[2-methyl-2-(4-methylphenyl)propyl]amino]ethanamide

Formula

C14 H22 N2 O

Formal charge

0

Molecular weight

234.337 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NC(=O)CN(C)CC(C)(C)c1ccc(C)cc1
SMILES CACTVS 3.385 CN(CC(N)=O)CC(C)(C)c1ccc(C)cc1
SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1)C(C)(C)CN(C)CC(=O)N
Canonical SMILES CACTVS 3.385 CN(CC(N)=O)CC(C)(C)c1ccc(C)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1)C(C)(C)CN(C)CC(=O)N

IUPAC InChI

InChI=1S/C14H22N2O/c1-11-5-7-12(8-6-11)14(2,3)10-16(4)9-13(15)17/h5-8H,9-10H2,1-4H3,(H2,15,17)

IUPAC InChI key

JDMIDNSLBBTABU-UHFFFAOYSA-N
V4L

wwPDB Information

Atom count

39 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-29

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned