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ZQZ

Summary
Name:N-[2-(3-methoxyphenoxy)phenyl]-N~2~-(naphthalene-1-carbonyl)-L-alpha-glutamine
Formula:C29 H26 N2 O6
Formal charge:0
Formula weight:498.527 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[2-(3-methoxyphenoxy)phenyl]-N~2~-(naphthalene-1-carbonyl)-L-alpha-glutamine
OpenEye OEToolkits2.0.7(4~{S})-5-[[2-(3-methoxyphenoxy)phenyl]amino]-4-(naphthalen-1-ylcarbonylamino)-5-oxidanylidene-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCC(NC(=O)c1cccc2ccccc21)C(=O)Nc1ccccc1Oc1cc(OC)ccc1
InChIInChI1.06InChI=1S/C29H26N2O6/c1-36-20-10-7-11-21(18-20)37-26-15-5-4-14-24(26)30-29(35)25(16-17-27(32)33)31-28(34)23-13-6-9-19-8-2-3-12-22(19)23/h2-15,18,25H,16-17H2,1H3,(H,30,35)(H,31,34)(H,32,33)/t25-/m0/s1
InChIKeyInChI1.06VIOMNVLHIQNNOJ-VWLOTQADSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(Oc2ccccc2NC(=O)[C@H](CCC(O)=O)NC(=O)c3cccc4ccccc34)c1
SMILESCACTVS3.385COc1cccc(Oc2ccccc2NC(=O)[CH](CCC(O)=O)NC(=O)c3cccc4ccccc34)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cccc(c1)Oc2ccccc2NC(=O)[C@H](CCC(=O)O)NC(=O)c3cccc4c3cccc4
SMILESOpenEye OEToolkits2.0.7COc1cccc(c1)Oc2ccccc2NC(=O)C(CCC(=O)O)NC(=O)c3cccc4c3cccc4

221051

數據於2024-06-12公開中

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