2GX

beta-phenyl-L-phenylalanine

Created: 2013-02-15
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count1
Bond Count34
Aromatic Bond Count12
2D diagram of 2GX

Chemical Component Summary

Namebeta-phenyl-L-phenylalanine
Systematic Name (OpenEye OEToolkits)(2S)-2-azanyl-3,3-diphenyl-propanoic acid
FormulaC15 H15 N O2
Molecular Weight241.285
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(O)C(N)C(c1ccccc1)c2ccccc2
SMILESCACTVS3.370N[CH](C(c1ccccc1)c2ccccc2)C(O)=O
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)C(c2ccccc2)C(C(=O)O)N
Canonical SMILESCACTVS3.370 N[C@@H](C(c1ccccc1)c2ccccc2)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc(cc1)C(c2ccccc2)[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m0/s1
InChIKeyInChI1.03 PECGVEGMRUZOML-AWEZNQCLSA-N

Related Resource References

Resource NameReference
PubChem 7010705, 162977