PCV

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Summary

Name:5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID
Synonyms:PROCLAVAMINIC ACID
Formula:C8 H14 N2 O4
Formal charge:0
Molecular weight:202.208 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-amino-2,4,5-trideoxy-2-(2-oxoazetidin-1-yl)-D-threo-pentonic acid
OpenEye OEToolkits1.5.0(2S,3R)-5-amino-3-hydroxy-2-(2-oxoazetidin-1-yl)pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N(C(C(=O)O)C(O)CCN)CC1
SMILES_CANONICALCACTVS3.341NCC[C@@H](O)[C@H](N1CCC1=O)C(O)=O
SMILESCACTVS3.341NCC[CH](O)[CH](N1CCC1=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1CN(C1=O)[C@@H]([C@@H](CCN)O)C(=O)O
SMILESOpenEye OEToolkits1.5.0C1CN(C1=O)C(C(CCN)O)C(=O)O
InChIInChI1.03InChI=1S/C8H14N2O4/c9-3-1-5(11)7(8(13)14)10-4-2-6(10)12/h5,7,11H,1-4,9H2,(H,13,14)/t5-,7+/m1/s1
InChIKeyInChI1.03NMCINKPVAOXDJH-VDTYLAMSSA-N
169963
PDB entries from 2020-10-14