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KI2

Summary
Name:3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID
Formula:C18 H19 N O5
Formal charge:0
Formula weight:329.347 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutanoic acid
OpenEye OEToolkits1.5.0(2R,3S)-2-hydroxy-4-phenyl-3-phenylmethoxycarbonylamino-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2
SMILES_CANONICALCACTVS3.341O[C@H]([C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O
SMILESCACTVS3.341O[CH]([CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)NC(=O)OCc2ccccc2
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CC(C(C(=O)O)O)NC(=O)OCc2ccccc2
InChIInChI1.03InChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m0/s1
InChIKeyInChI1.03JXJYTERRLRAUSF-JKSUJKDBSA-N

246704

PDB entries from 2025-12-24

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