Chemical Components in the PDB

pdbe.org/chem
spacer

WVL : Summary

Code

WVL

One-letter code

V

Molecule name

(2S,3R)-2-amino-3,5-dimethylhex-4-enoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S,3R)-2-amino-3,5-dimethylhex-4-enoic acid
OpenEye OEToolkits 1.7.6 (2S,3R)-2-azanyl-3,5-dimethyl-hex-4-enoic acid

Formula

C8 H15 N O2

Formal charge

0

Molecular weight

157.21 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)C(\C=C(/C)C)C
SMILES CACTVS 3.370 C[CH](C=C(C)C)[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC(C=C(C)C)C(C(=O)O)N
Canonical SMILES CACTVS 3.370 C[C@H](C=C(C)C)[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C[C@H](C=C(C)C)[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H15NO2/c1-5(2)4-6(3)7(9)8(10)11/h4,6-7H,9H2,1-3H3,(H,10,11)/t6-,7+/m1/s1

IUPAC InChI key

ACJIBDJXENOACA-RQJHMYQMSA-N
WVL

wwPDB Information

Atom count

26 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

VAL

Defined at

2013-06-18

Last modified at

2013-09-13

Status

Released

Obsoleted

Not Assigned