3-[4-(3-azanylpropanoylamino)phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[4-(3-azanylpropanoylamino)phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[4-(3-aminopropanoylamino)phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[4-[(3-amino-1-oxopropyl)amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[4-(3-aminopropanoylamino)phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(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(=CN=C1)C(CC(=O)O)SC2=CC=C(C=C2)NC(=O)CCN

Isomeric SMILES

C1=CC(=CN=C1)C(CC(=O)O)SC2=CC=C(C=C2)NC(=O)CCN

InChI

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