(Z,2S,3R)-2-phenyl-16-pyridin-3-yl-3-[[(Z)-14-pyridin-3-yltetradec-11-enyl]amino]hexadec-13-enoic acid

Systemtic Name: (Z,2S,3R)-2-phenyl-16-pyridin-3-yl-3-[[(Z)-14-pyridin-3-yltetradec-11-enyl]amino]hexadec-13-enoic acid Openeye Name: (Z,2S,3R)-2-phenyl-16-(3-pyridyl)-3-[[(Z)-14-(3-pyridyl)tetradec-11-enyl]amino]hexadec-13-enoic acid CAS Name: (Z,2S,3R)-2-phenyl-16-(3-pyridinyl)-3-[[(Z)-14-(3-pyridinyl)tetradec-11-enyl]amino]-13-hexadecenoic acid IUPAC Name: (Z,2S,3R)-2-phenyl-16-pyridin-3-yl-3-[[(Z)-14-pyridin-3-yltetradec-11-enyl]amino]hexadec-13-enoic acid Traditional Name: (Z,2S,3R)-2-phenyl-16-(3-pyridyl)-3-[[(Z)-14-(3-pyridyl)tetradec-11-enyl]amino]hexadec-13-enoic acid Formula: C46H67N3O2 MolecularWeight: 694.04308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CCCCCCCCCC=CCCC2=CN=CC=C2)NCCCCCCCCCCC=CCCC3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]([C@@H](CCCCCCCCC/C=C\CCC2=CN=CC=C2)NCCCCCCCCCC/C=C\CCC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C46H67N3O2/c50-46(51)45(43-33-23-20-24-34-43)44(35-25-18-14-10-6-3-5-9-13-17-22-30-42-32-28-37-48-40-42)49-38-26-19-15-11-7-2-1-4-8-12-16-21-29-41-31-27-36-47-39-41/h12-13,16-17,20,23-24,27-28,31-34,36-37,39-40,44-45,49H,1-11,14-15,18-19,21-22,25-26,29-30,35,38H2,(H,50,51)/b16-12-,17-13-/t44-,45+/m1/s1