(2S,3R)-2-phenyl-15-pyridin-3-yl-3-(13-pyridin-3-yltridecylamino)pentadecanoic acid

Systemtic Name: (2S,3R)-2-phenyl-15-pyridin-3-yl-3-(13-pyridin-3-yltridecylamino)pentadecanoic acid Openeye Name: (2S,3R)-2-phenyl-15-(3-pyridyl)-3-[13-(3-pyridyl)tridecylamino]pentadecanoic acid CAS Name: (2S,3R)-2-phenyl-15-(3-pyridinyl)-3-[13-(3-pyridinyl)tridecylamino]pentadecanoic acid IUPAC Name: (2S,3R)-2-phenyl-15-pyridin-3-yl-3-(13-pyridin-3-yltridecylamino)pentadecanoic acid Traditional Name: (2S,3R)-2-phenyl-15-(3-pyridyl)-3-[13-(3-pyridyl)tridecylamino]pentadecanoic acid Formula: C44H67N3O2 MolecularWeight: 670.02168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CCCCCCCCCCCCC2=CN=CC=C2)NCCCCCCCCCCCCCC3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]([C@@H](CCCCCCCCCCCCC2=CN=CC=C2)NCCCCCCCCCCCCCC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C44H67N3O2/c48-44(49)43(41-31-21-18-22-32-41)42(33-23-16-12-8-4-3-7-11-15-20-28-40-30-26-35-46-38-40)47-36-24-17-13-9-5-1-2-6-10-14-19-27-39-29-25-34-45-37-39/h18,21-22,25-26,29-32,34-35,37-38,42-43,47H,1-17,19-20,23-24,27-28,33,36H2,(H,48,49)/t42-,43+/m1/s1