Chemical Components in the PDB

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6ZS : Summary

Code

6ZS

One-letter code

X

Molecule name

L-isovaline

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{S})-2-azanyl-2-methyl-butanoic acid

Formula

C5 H11 N O2

Formal charge

0

Molecular weight

117.146 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC[C](C)(N)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 CCC(C)(C(=O)O)N
Canonical SMILES CACTVS 3.385 CC[C@](C)(N)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 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-/m0/s1

IUPAC InChI key

GCHPUFAZSONQIV-YFKPBYRVSA-N
6ZS

wwPDB Information

Atom count

19 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2016-08-02

Last modified at

2017-10-04

Status

Released

Obsoleted

Not Assigned