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C68

Summary
Name:(2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid
Formula:C12 H19 N O8
Formal charge:0
Formula weight:305.281 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H19NO8/c1-6(2)5-8(11(18)19)21-12(20)13-7(10(16)17)3-4-9(14)15/h6-8H,3-5H2,1-2H3,(H,13,20)(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1
InChIKeyInChI1.03GCAXQXOSZUNUBK-YUMQZZPRSA-N
SMILES_CANONICALCACTVS3.385CC(C)C[C@H](OC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
SMILESCACTVS3.385CC(C)C[CH](OC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)C[C@@H](C(=O)O)OC(=O)N[C@@H](CCC(=O)O)C(=O)O
SMILESOpenEye OEToolkits2.0.6CC(C)CC(C(=O)O)OC(=O)NC(CCC(=O)O)C(=O)O

217705

PDB entries from 2024-03-27

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