Chemical Components in the PDB

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O7G : Summary

Code

O7G

One-letter code

V

Molecule name

N,N-dimethyl-L-valine

Systematic names

ProgramVersionName
ACDLabs 12.01 N,N-dimethyl-L-valine
OpenEye OEToolkits 2.0.7 (2~{S})-2-(dimethylamino)-3-methyl-butanoic acid

Formula

C7 H15 N O2

Formal charge

0

Molecular weight

145.2 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(C)(C)C(C(=O)O)C(C)C
SMILES CACTVS 3.385 CC(C)[CH](N(C)C)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(C)C(C(=O)O)N(C)C
Canonical SMILES CACTVS 3.385 CC(C)[C@H](N(C)C)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)[C@@H](C(=O)O)N(C)C

IUPAC InChI

InChI=1S/C7H15NO2/c1-5(2)6(7(9)10)8(3)4/h5-6H,1-4H3,(H,9,10)/t6-/m0/s1

IUPAC InChI key

APGLTERDKORUHK-LURJTMIESA-N
O7G

wwPDB Information

Atom count

25 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide NH3 amino terminus

Type code

ATOMP

Is modified

Yes

Standard parent

VAL

Defined at

2019-06-17

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned