3-[2-(3-azanylpropanoylamino)phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-(3-azanylpropanoylamino)phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[2-(3-aminopropanoylamino)phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[(3-amino-1-oxopropyl)amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[2-(3-aminopropanoylamino)phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-(3-aminopropanoylamino)phenyl]thio]-3-(3-pyridyl)propionic acid Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCN)SC(CC(=O)O)C2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCN)SC(CC(=O)O)C2=CN=CC=C2

InChI

InChI=1S/C17H19N3O3S/c18-8-7-16(21)20-13-5-1-2-6-14(13)24-15(10-17(22)23)12-4-3-9-19-11-12/h1-6,9,11,15H,7-8,10,18H2,(H,20,21)(H,22,23)