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

Systemtic Name: 3-pyridin-3-yl-3-[3-[[(2R)-pyrrolidin-2-yl]carbonylamino]phenyl]sulfanyl-propanoic acid Openeye Name: 3-(3-pyridyl)-3-[3-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]sulfanyl-propanoic acid CAS Name: 3-[[3-[[oxo-[(2R)-2-pyrrolidinyl]methyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-pyridin-3-yl-3-[3-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]sulfanylpropanoic acid Traditional Name: 3-[[3-[[(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(=CC=C2)SC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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