0HZ

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

Created: 2008-11-05
Last modified:  2020-06-05

Chemical Details

Formal Charge1
Atom Count38
Chiral Atom Count2
Bond Count39
Aromatic Bond Count0
2D diagram of 0HZ

Chemical Component Summary

Nameamino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium
SynonymsCI-4; [cyclo-(l-Arg-d-Pro)]
Systematic Name (OpenEye OEToolkits)[[3-[(3S,8aR)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-d]pyrazin-3-yl]propylamino]-amino-methylidene]azanium
FormulaC11 H20 N5 O2
Molecular Weight254.309
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1N2C(C(=O)NC1CCCNC(=[NH2+])/N)CCC2
SMILESCACTVS3.341NC(=[NH2+])NCCC[CH]1NC(=O)[CH]2CCCN2C1=O
Canonical SMILESCACTVS3.341 NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H]2CCCN2C1=O
InChIInChI1.03 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
InChIKeyInChI1.03 ZRJHYOXNWCMGMW-JGVFFNPUSA-O

Related Resource References

Resource NameReference
PubChem 137347862