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YTT

Summary
Name:(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
Synonyms:cyclo(tyrosyl-tyrosyl)
Cyclo(tyr-tyr)
Formula:C18 H18 N2 O4
Formal charge:0
Formula weight:326.347 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
OpenEye OEToolkits1.5.0(3S,6S)-3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1NC(C(=O)NC1Cc2ccc(O)cc2)Cc3ccc(O)cc3
SMILES_CANONICALCACTVS3.341Oc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1
SMILESCACTVS3.341Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1CC2C(=O)NC(C(=O)N2)Cc3ccc(cc3)O)O
InChIInChI1.03InChI=1S/C18H18N2O4/c21-13-5-1-11(2-6-13)9-15-17(23)20-16(18(24)19-15)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10H2,(H,19,24)(H,20,23)/t15-,16-/m0/s1
InChIKeyInChI1.03NGPCLOGFGKJCBP-HOTGVXAUSA-N

218500

PDB entries from 2024-04-17

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