(2S,3R)-2-phenyl-15-pyridin-3-yl-3-(12-pyridin-3-yldodecylamino)pentadecanoic acid

Systemtic Name: (2S,3R)-2-phenyl-15-pyridin-3-yl-3-(12-pyridin-3-yldodecylamino)pentadecanoic acid Openeye Name: (2S,3R)-2-phenyl-15-(3-pyridyl)-3-[12-(3-pyridyl)dodecylamino]pentadecanoic acid CAS Name: (2S,3R)-2-phenyl-15-(3-pyridinyl)-3-[12-(3-pyridinyl)dodecylamino]pentadecanoic acid IUPAC Name: (2S,3R)-2-phenyl-15-pyridin-3-yl-3-(12-pyridin-3-yldodecylamino)pentadecanoic acid Traditional Name: (2S,3R)-2-phenyl-15-(3-pyridyl)-3-[12-(3-pyridyl)dodecylamino]pentadecanoic acid Formula: C43H65N3O2 MolecularWeight: 655.9951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CCCCCCCCCCCCC2=CN=CC=C2)NCCCCCCCCCCCCC3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]([C@@H](CCCCCCCCCCCCC2=CN=CC=C2)NCCCCCCCCCCCCC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C43H65N3O2/c47-43(48)42(40-30-20-17-21-31-40)41(32-22-15-11-7-2-1-5-9-13-18-26-38-28-24-33-44-36-38)46-35-23-16-12-8-4-3-6-10-14-19-27-39-29-25-34-45-37-39/h17,20-21,24-25,28-31,33-34,36-37,41-42,46H,1-16,18-19,22-23,26-27,32,35H2,(H,47,48)/t41-,42+/m1/s1