Chemical Components in the PDB

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G2B : Summary

Code

G2B

One-letter code

X

Molecule name

1-[(2~{R},3~{S})-2-azanyl-3-oxidanyl-butyl]urea

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-[(2~{R},3~{S})-2-azanyl-3-oxidanyl-butyl]urea

Formula

C5 H13 N3 O2

Formal charge

0

Molecular weight

147.176 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH](O)[CH](N)CNC(N)=O
SMILES OpenEye OEToolkits 2.0.6 CC(C(CNC(=O)N)N)O
Canonical SMILES CACTVS 3.385 C[C@H](O)[C@H](N)CNC(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@@H]([C@@H](CNC(=O)N)N)O

IUPAC InChI

InChI=1S/C5H13N3O2/c1-3(9)4(6)2-8-5(7)10/h3-4,9H,2,6H2,1H3,(H3,7,8,10)/t3-,4+/m0/s1

IUPAC InChI key

DMDDGYOTJFLDRR-IUYQGCFVSA-N
G2B

wwPDB Information

Atom count

23 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-08-22

Last modified at

2020-07-03

Status

Released

Obsoleted

Not Assigned