Chemical Components in the PDB

pdbe.org/chem
spacer

DIV : Summary

Code

DIV

One-letter code

V

Molecule name

D-ISOVALINE

Systematic names

ProgramVersionName
ACDLabs 10.04 D-isovaline
OpenEye OEToolkits 1.5.0 (2R)-2-amino-2-methyl-butanoic acid

Formula

C5 H11 N O2

Formal charge

0

Molecular weight

117.146 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)(C)CC
SMILES CACTVS 3.341 CC[C](C)(N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCC(C)(C(=O)O)N
Canonical SMILES CACTVS 3.341 CC[C@@](C)(N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC[C@](C)(C(=O)O)N

IUPAC InChI

InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1

IUPAC InChI key

GCHPUFAZSONQIV-RXMQYKEDSA-N
DIV

wwPDB Information

Atom count

19 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

VAL

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned