Chemical Components in the PDB

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XKV : Summary

Code

XKV

One-letter code

X

Molecule name

(2R)-2-aminobutanamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2-aminobutanamide
OpenEye OEToolkits 2.0.7 (2~{S})-2-azanylbutanamide

Formula

C4 H10 N2 O

Formal charge

0

Molecular weight

102.135 Da

SMILES

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

IUPAC InChI

InChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7)

IUPAC InChI key

HNNJFUDLLWOVKZ-UHFFFAOYSA-N
XKV

wwPDB Information

Atom count

17 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-12-18

Last modified at

2021-06-18

Status

Released

Obsoleted

Not Assigned