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SUJ

Summary
Name:(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
Formula:C9 H16 N2 O5
Formal charge:0
Formula weight:232.234 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidin-1-yl]-3-hydroxybutanoic acid
OpenEye OEToolkits1.5.0(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxo-piperidin-1-yl]-3-hydroxy-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N1C(=O)C(N)CCC1O)C(O)C
SMILES_CANONICALCACTVS3.341C[C@@H](O)[C@H](N1[C@H](O)CC[C@H](N)C1=O)C(O)=O
SMILESCACTVS3.341C[CH](O)[CH](N1[CH](O)CC[CH](N)C1=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H]([C@@H](C(=O)O)N1[C@@H](CC[C@@H](C1=O)N)O)O
SMILESOpenEye OEToolkits1.5.0CC(C(C(=O)O)N1C(CCC(C1=O)N)O)O
InChIInChI1.03InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-6(13)3-2-5(10)8(11)14/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)/t4-,5+,6-,7+/m1/s1
InChIKeyInChI1.03ODVCESWVBOFPFP-UCROKIRRSA-N

218853

PDB entries from 2024-04-24

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