CHQ

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Summary

Name:CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR
Synonyms:(3S,8AR)-3-(1H-IMIDAZOL-5-YLMETHYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE
Formula:C11 H14 N4 O2
Formal charge:0
Molecular weight:234.254 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3S,8aS)-3-(1H-imidazol-5-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
OpenEye OEToolkits1.5.0(3S,8aS)-3-(3H-imidazol-4-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N3CCCC3C(=O)NC1Cc2cncn2
SMILES_CANONICALCACTVS3.341O=C1N[C@@H](Cc2[nH]cnc2)C(=O)N3CCC[C@@H]13
SMILESCACTVS3.341O=C1N[CH](Cc2[nH]cnc2)C(=O)N3CCC[CH]13
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2
SMILESOpenEye OEToolkits1.5.0c1c([nH]cn1)CC2C(=O)N3CCCC3C(=O)N2
InChIInChI1.03InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1
InChIKeyInChI1.03NAKUGCPAQTUSBE-IUCAKERBSA-N
167518
PDB entries from 2020-08-12