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554

Summary
Name:(2~{S})-1-[(3~{S})-3-[[(3~{S})-3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]azetidine-2-carboxylic acid
Formula:C12 H20 N2 O7
Formal charge:0
Formula weight:304.296 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S})-1-[(3~{S})-3-[[(3~{S})-3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]azetidine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1
InChIKeyInChI1.03CUZKLRTTYZOCSD-CIUDSAMLSA-N
SMILES_CANONICALCACTVS3.385O[C@@H](CCN[C@@H](CCN1CC[C@H]1C(O)=O)C(O)=O)C(O)=O
SMILESCACTVS3.385O[CH](CCN[CH](CCN1CC[CH]1C(O)=O)C(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C1CN([C@@H]1C(=O)O)CC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)O
SMILESOpenEye OEToolkits2.0.7C1CN(C1C(=O)O)CCC(C(=O)O)NCCC(C(=O)O)O

217705

PDB entries from 2024-03-27

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