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- ChemComp-0HZ: amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]p... -

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Basic information

EntryDatabase: PDB chemical components / ID: 0HZ
NameName: amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium
Synonyms: CI-4; [cyclo-(l-Arg-d-Pro)]

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Chemical information

Composition
Formula: C11H20N5O2 / Number of atoms: 38 / Formula weight: 254.309 / Formal charge: 1
Others

1o6i

DPR

ARG

Type: peptide-like / PDB classification: HETAIN / Three letter code: 0HZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1O6I / Model coordinates details: not provided / Subcomponent: DPR, ARG
History
Create componentNov 5, 2008
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

CACTVS 3.341NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H]2CCCN2C1=O

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03ZRJHYOXNWCMGMW-JGVFFNPUSA-O

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SYSTEMATIC NAME

ACDLabs 10.04amino({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

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PDB entries

Showing all 5 items

PDB-1o6i:
Chitinase B from Serratia marcescens complexed with the catalytic intermediate mimic cyclic dipeptide CI4.

PDB-5yvk:
Crystal structure of a cyclase Famc1 from Fischerella ambigua UTEX 1903

PDB-5z53:
Crystal structure of a cyclase Filc from Fischerella sp. in complex with cyclo-L-Arg-D-Pro

PDB-5z54:
Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239 in complex with cyclo-L-Arg-D-Pro

PDB-6j03:
Crystal structure of a cyclase mutant in apo form

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