Chemical Components in the PDB

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AG2 : Summary

Code

AG2

One-letter code

X

Molecule name

AGMATINE

Synonyms

(4-AMINOBUTYL)GUANIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-(4-aminobutyl)guanidine
OpenEye OEToolkits 1.5.0 1-(4-aminobutyl)guanidine

Formula

C5 H14 N4

Formal charge

0

Molecular weight

130.191 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [N@H]=C(N)NCCCCN
SMILES CACTVS 3.341 NCCCCNC(N)=N
SMILES OpenEye OEToolkits 1.5.0 C(CCNC(=N)N)CN
Canonical SMILES CACTVS 3.341 NCCCCNC(N)=N
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCNC(=N)N)CN

IUPAC InChI

InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)

IUPAC InChI key

QYPPJABKJHAVHS-UHFFFAOYSA-N

Is part of

E69 , RA8
AG2

wwPDB Information

Atom count

23 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-10-04

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned