3-(2-phthalazin-1-ylsulfanylethanoylamino)propanoic acid

Systemtic Name: 3-(2-phthalazin-1-ylsulfanylethanoylamino)propanoic acid Openeye Name: 3-[(2-phthalazin-1-ylsulfanylacetyl)amino]propanoic acid CAS Name: 3-[[1-oxo-2-(1-phthalazinylthio)ethyl]amino]propanoic acid IUPAC Name: 3-[(2-phthalazin-1-ylsulfanylacetyl)amino]propanoic acid Traditional Name: 3-[[2-(phthalazin-1-ylthio)acetyl]amino]propionic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NCCC(=O)O

InChI

InChI=1S/C13H13N3O3S/c17-11(14-6-5-12(18)19)8-20-13-10-4-2-1-3-9(10)7-15-16-13/h1-4,7H,5-6,8H2,(H,14,17)(H,18,19)