Chemical Components in the PDB

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VLL : Summary

Code

VLL

One-letter code

X

Molecule name

(2S)-2,3-DIAMINOBUTANOIC ACID

Synonyms

L-THREO-2,3-DIAMINO-BUTYRIC ACID

Systematic names

ProgramVersionName
ACDLabs 11.02 (2S,3R)-2,3-diaminobutanoic acid
OpenEye OEToolkits 1.6.1 (2S,3R)-2,3-bis(azanyl)butanoic acid

Formula

C4 H10 N2 O2

Formal charge

0

Molecular weight

118.134 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 O=C(O)C(N)C(N)C
SMILES CACTVS 3.352 C[CH](N)[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC(C(C(=O)O)N)N
Canonical SMILES CACTVS 3.352 C[C@@H](N)[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C[C@H]([C@@H](C(=O)O)N)N

IUPAC InChI

InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3+/m1/s1

IUPAC InChI key

SXGMVGOVILIERA-GBXIJSLDSA-N
VLL

wwPDB Information

Atom count

18 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

UNK

Defined at

2004-07-16

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned