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TYP

Summary
Name:CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR
Synonyms:(3S,8AR)-3-(4-HYDROXYBENZYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE
Formula:C14 H16 N2 O3
Formal charge:0
Formula weight:260.288 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3S,8aS)-3-(4-hydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
OpenEye OEToolkits1.5.0(3S,8aS)-3-[(4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N3C(C(=O)NC1Cc2ccc(O)cc2)CCC3
SMILES_CANONICALCACTVS3.341Oc1ccc(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)cc1
SMILESCACTVS3.341Oc1ccc(C[CH]2NC(=O)[CH]3CCCN3C2=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1CC2C(=O)N3CCCC3C(=O)N2)O
InChIInChI1.03InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m0/s1
InChIKeyInChI1.03LSGOTAXPWMCUCK-RYUDHWBXSA-N

223532

数据于2024-08-07公开中

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