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N72

Summary
Name:(2~{R})-2-[[(3~{R},4~{R},5~{S})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid
Formula:C11 H19 N O9
Formal charge:0
Formula weight:309.27 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R})-2-[[(3~{R},4~{R},5~{S})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H19NO9/c13-4-7(15)10(19)9(18)6(14)3-12-5(11(20)21)1-2-8(16)17/h5,7,9-10,12-13,15,18-19H,1-4H2,(H,16,17)(H,20,21)/t5-,7+,9+,10-/m1/s1
InChIKeyInChI1.03PUFNBARRTADWAC-XWPZMVOTSA-N
SMILES_CANONICALCACTVS3.385OC[C@H](O)[C@@H](O)[C@@H](O)C(=O)CN[C@H](CCC(O)=O)C(O)=O
SMILESCACTVS3.385OC[CH](O)[CH](O)[CH](O)C(=O)CN[CH](CCC(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O
SMILESOpenEye OEToolkits2.0.7C(CC(=O)O)C(C(=O)O)NCC(=O)C(C(C(CO)O)O)O

217705

PDB entries from 2024-03-27

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