(2S)-2-phenyl-3-[[(Z)-14-pyridin-3-yltetradec-11-enyl]amino]propanoic acid

Systemtic Name: (2S)-2-phenyl-3-[[(Z)-14-pyridin-3-yltetradec-11-enyl]amino]propanoic acid Openeye Name: (2S)-2-phenyl-3-[[(Z)-14-(3-pyridyl)tetradec-11-enyl]amino]propanoic acid CAS Name: (2S)-2-phenyl-3-[[(Z)-14-(3-pyridinyl)tetradec-11-enyl]amino]propanoic acid IUPAC Name: (2S)-2-phenyl-3-[[(Z)-14-pyridin-3-yltetradec-11-enyl]amino]propanoic acid Traditional Name: (2S)-2-phenyl-3-[[(Z)-14-(3-pyridyl)tetradec-11-enyl]amino]propionic acid Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O2/c31-28(32)27(26-19-13-11-14-20-26)24-30-21-15-10-8-6-4-2-1-3-5-7-9-12-17-25-18-16-22-29-23-25/h7,9,11,13-14,16,18-20,22-23,27,30H,1-6,8,10,12,15,17,21,24H2,(H,31,32)/b9-7-/t27-/m1/s1