(2S)-2-phenyl-3-[[(E)-13-pyridin-3-yltridec-10-enyl]amino]propanoic acid

Systemtic Name: (2S)-2-phenyl-3-[[(E)-13-pyridin-3-yltridec-10-enyl]amino]propanoic acid Openeye Name: (2S)-2-phenyl-3-[[(E)-13-(3-pyridyl)tridec-10-enyl]amino]propanoic acid CAS Name: (2S)-2-phenyl-3-[[(E)-13-(3-pyridinyl)tridec-10-enyl]amino]propanoic acid IUPAC Name: (2S)-2-phenyl-3-[[(E)-13-pyridin-3-yltridec-10-enyl]amino]propanoic acid Traditional Name: (2S)-2-phenyl-3-[[(E)-13-(3-pyridyl)tridec-10-enyl]amino]propionic acid Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNCCCCCCCCCC=CCCC2=CN=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CNCCCCCCCCC/C=C/CCC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C27H38N2O2/c30-27(31)26(25-18-12-10-13-19-25)23-29-20-14-9-7-5-3-1-2-4-6-8-11-16-24-17-15-21-28-22-24/h6,8,10,12-13,15,17-19,21-22,26,29H,1-5,7,9,11,14,16,20,23H2,(H,30,31)/b8-6+/t26-/m1/s1