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GHE

Summary
Name:(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid
Formula:C16 H24 N2 O6
Formal charge:0
Formula weight:340.372 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R,2'R)-1,1'-(1,6-dioxohexane-1,6-diyl)dipyrrolidine-2-carboxylic acid (non-preferred name)
OpenEye OEToolkits1.9.2(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1C(C(=O)O)CCC1)CCCCC(=O)N2C(C(=O)O)CCC2
InChIInChI1.03InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1
InChIKeyInChI1.03HZLAWYIBLZNRFZ-VXGBXAGGSA-N
SMILES_CANONICALCACTVS3.385OC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N2CCC[C@@H]2C(O)=O
SMILESCACTVS3.385OC(=O)[CH]1CCCN1C(=O)CCCCC(=O)N2CCC[CH]2C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O
SMILESOpenEye OEToolkits1.9.2C1CC(N(C1)C(=O)CCCCC(=O)N2CCCC2C(=O)O)C(=O)O

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PDB entries from 2024-11-06

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