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01J

Summary
Name:N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanine
Formula:C20 H24 N2 O4
Formal charge:0
Formula weight:356.416 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanine
OpenEye OEToolkits1.7.0(2R)-2-[[(S)-hydroxy(morpholin-4-yl)methyl]amino]-3,3-diphenyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(NC(O)N1CCOCC1)C(c2ccccc2)c3ccccc3
SMILES_CANONICALCACTVS3.370O[C@@H](N[C@H](C(c1ccccc1)c2ccccc2)C(O)=O)N3CCOCC3
SMILESCACTVS3.370O[CH](N[CH](C(c1ccccc1)c2ccccc2)C(O)=O)N3CCOCC3
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N[C@@H](N3CCOCC3)O
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)C(c2ccccc2)C(C(=O)O)NC(N3CCOCC3)O
InChIInChI1.03InChI=1S/C20H24N2O4/c23-19(24)18(21-20(25)22-11-13-26-14-12-22)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18,20-21,25H,11-14H2,(H,23,24)/t18-,20+/m1/s1
InChIKeyInChI1.03GJAJEXRMMBBABJ-QUCCMNQESA-N

222415

数据于2024-07-10公开中

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