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(2S)-2-phenyl-3-(13-pyridin-3-yltridecylamino)propanoic acid

(2S)-2-phenyl-3-(13-pyridin-3-yltridecylamino)propanoic acid

Systemtic Name:(2S)-2-phenyl-3-(13-pyridin-3-yltridecylamino)propanoic acid
Openeye Name:(2S)-2-phenyl-3-[13-(3-pyridyl)tridecylamino]propanoic acid
CAS Name:(2S)-2-phenyl-3-[13-(3-pyridinyl)tridecylamino]propanoic acid
IUPAC Name:(2S)-2-phenyl-3-(13-pyridin-3-yltridecylamino)propanoic acid
Traditional Name:(2S)-2-phenyl-3-[13-(3-pyridyl)tridecylamino]propionic acid
Formula: C27H40N2O2
MolecularWeight: 424.6187
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNCCCCCCCCCCCCCC2=CN=CC=C2)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CNCCCCCCCCCCCCCC2=CN=CC=C2)C(=O)O


InChI

InChI=1S/C27H40N2O2/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/h10,12-13,15,17-19,21-22,26,29H,1-9,11,14,16,20,23H2,(H,30,31)/t26-/m1/s1


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