3-pyridin-3-yl-3-[4-[[(2R)-pyrrolidin-2-yl]carbonylamino]phenyl]sulfanyl-propanoic acid

Systemtic Name: 3-pyridin-3-yl-3-[4-[[(2R)-pyrrolidin-2-yl]carbonylamino]phenyl]sulfanyl-propanoic acid Openeye Name: 3-(3-pyridyl)-3-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]sulfanyl-propanoic acid CAS Name: 3-[[4-[[oxo-[(2R)-2-pyrrolidinyl]methyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-pyridin-3-yl-3-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]sulfanylpropanoic acid Traditional Name: 3-[[4-[[(2R)-prolyl]amino]phenyl]thio]-3-(3-pyridyl)propionic acid Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC2=CC=C(C=C2)SC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1C[C@@H](NC1)C(=O)NC2=CC=C(C=C2)SC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C19H21N3O3S/c23-18(24)11-17(13-3-1-9-20-12-13)26-15-7-5-14(6-8-15)22-19(25)16-4-2-10-21-16/h1,3,5-9,12,16-17,21H,2,4,10-11H2,(H,22,25)(H,23,24)/t16-,17?/m1/s1