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3UB

Summary
Name:propan-2-yl hydrogen (S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate
Formula:C13 H20 N O5 P
Formal charge:0
Formula weight:301.275 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01propan-2-yl hydrogen (S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate
OpenEye OEToolkits1.7.2[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-propan-2-yloxy-phosphinic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(OC(C)C)(O)C(NC(=O)OCc1ccccc1)C
InChIInChI1.03InChI=1S/C13H20NO5P/c1-10(2)19-20(16,17)11(3)14-13(15)18-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)(H,16,17)/t11-/m1/s1
InChIKeyInChI1.03DRLKMEFBZYZZJV-LLVKDONJSA-N
SMILES_CANONICALCACTVS3.370CC(C)O[P](O)(=O)[C@H](C)NC(=O)OCc1ccccc1
SMILESCACTVS3.370CC(C)O[P](O)(=O)[CH](C)NC(=O)OCc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.7.2C[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)OC(C)C
SMILESOpenEye OEToolkits1.7.2CC(C)OP(=O)(C(C)NC(=O)OCc1ccccc1)O

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PDB entries from 2026-01-14

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