Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

0HZ : Summary

Code

0HZ

One-letter code

X

Molecule name

amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium

Synonyms

CI-4
[cyclo-(l-Arg-d-Pro)]

Systematic names

ProgramVersionName
ACDLabs 10.04 amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium
OpenEye OEToolkits 1.5.0 [[3-[(3S,8aR)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-d]pyrazin-3-yl]propylamino]-amino-methylidene]azanium

Formula

C11 H20 N5 O2

Formal charge

1

Molecular weight

254.309 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1N2C(C(=O)NC1CCCNC(=[NH2+])/N)CCC2
SMILES CACTVS 3.341 NC(=[NH2+])NCCC[CH]1NC(=O)[CH]2CCCN2C1=O
Canonical SMILES CACTVS 3.341 NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H]2CCCN2C1=O

IUPAC InChI

InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/p+1/t7-,8+/m0/s1

IUPAC InChI key

ZRJHYOXNWCMGMW-JGVFFNPUSA-O
0HZ

wwPDB Information

Atom count

38 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-11-05

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned