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SRB

Summary
Name:L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID
Formula:C14 H17 B N O4
Formal charge:-1
Formula weight:274.1 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[(1R)-1-(acetylamino)-2-naphthalen-1-ylethyl](trihydroxy)borate(1-)
OpenEye OEToolkits1.5.0[(1R)-1-acetamido-2-naphthalen-1-yl-ethyl]-trihydroxy-boron

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NC([B-](O)(O)O)Cc2cccc1ccccc12)C
SMILES_CANONICALCACTVS3.341CC(=O)N[C@@H](Cc1cccc2ccccc12)[B-](O)(O)O
SMILESCACTVS3.341CC(=O)N[CH](Cc1cccc2ccccc12)[B-](O)(O)O
SMILES_CANONICALOpenEye OEToolkits1.5.0[B-]([C@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O
SMILESOpenEye OEToolkits1.5.0[B-](C(Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O
InChIInChI1.03InChI=1S/C14H17BNO4/c1-10(17)16-14(15(18,19)20)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14,18-20H,9H2,1H3,(H,16,17)/q-1/t14-/m0/s1
InChIKeyInChI1.03XDFLCBUAVBYWFW-AWEZNQCLSA-N

222415

数据于2024-07-10公开中

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