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BEY

Summary
Name:(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
Formula:C19 H24 N O4 P
Formal charge:0
Formula weight:361.372 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
OpenEye OEToolkits1.5.0(2S)-2-[[[(1S)-1-amino-3-phenyl-propyl]-hydroxy-phosphoryl]methyl]-3-phenyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(Cc1ccccc1)CP(=O)(O)C(N)CCc2ccccc2
SMILES_CANONICALCACTVS3.341N[C@H](CCc1ccccc1)[P@@](O)(=O)C[C@@H](Cc2ccccc2)C(O)=O
SMILESCACTVS3.341N[CH](CCc1ccccc1)[P](O)(=O)C[CH](Cc2ccccc2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CC[C@@H](N)[P@@](=O)(C[C@@H](Cc2ccccc2)C(=O)O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CCC(N)P(=O)(CC(Cc2ccccc2)C(=O)O)O
InChIInChI1.03InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)/t17-,18+/m1/s1
InChIKeyInChI1.03QELOIXSGJMIHBZ-MSOLQXFVSA-N

221371

PDB entries from 2024-06-19

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