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AJF

Summary
Name:methyl (2S)-2-[(3-ethanoylphenyl)carbonylamino]-3-phenyl-propanoate
Formula:C19 H19 N O4
Formal charge:0
Formula weight:325.358 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7methyl (2~{S})-2-[(3-ethanoylphenyl)carbonylamino]-3-phenyl-propanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H19NO4/c1-13(21)15-9-6-10-16(12-15)18(22)20-17(19(23)24-2)11-14-7-4-3-5-8-14/h3-10,12,17H,11H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyInChI1.06KLOCVZYWJLNHFL-KRWDZBQOSA-N
SMILES_CANONICALCACTVS3.385COC(=O)[C@H](Cc1ccccc1)NC(=O)c2cccc(c2)C(C)=O
SMILESCACTVS3.385COC(=O)[CH](Cc1ccccc1)NC(=O)c2cccc(c2)C(C)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC
SMILESOpenEye OEToolkits2.0.7CC(=O)c1cccc(c1)C(=O)NC(Cc2ccccc2)C(=O)OC

225946

PDB entries from 2024-10-09

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