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IXZ

Summary
Name:N-benzyl-2-[(N-benzylglycyl)amino]-4-phenylthiophene-3-carboxamide
Formula:C27 H25 N3 O2 S
Formal charge:0
Formula weight:455.571 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-benzyl-2-[(N-benzylglycyl)amino]-4-phenylthiophene-3-carboxamide
OpenEye OEToolkits1.7.64-phenyl-N-(phenylmethyl)-2-[2-[(phenylmethyl)amino]ethanoylamino]thiophene-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc2scc(c1ccccc1)c2C(=O)NCc3ccccc3)CNCc4ccccc4
InChIInChI1.03InChI=1S/C27H25N3O2S/c31-24(18-28-16-20-10-4-1-5-11-20)30-27-25(23(19-33-27)22-14-8-3-9-15-22)26(32)29-17-21-12-6-2-7-13-21/h1-15,19,28H,16-18H2,(H,29,32)(H,30,31)
InChIKeyInChI1.03FATCVHYQVCDDIO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(CNCc1ccccc1)Nc2scc(c3ccccc3)c2C(=O)NCc4ccccc4
SMILESCACTVS3.385O=C(CNCc1ccccc1)Nc2scc(c3ccccc3)c2C(=O)NCc4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)CNCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)CNCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4

227344

数据于2024-11-13公开中

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