2-[[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-ethanoyl-amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-ethanoyl-amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[acetyl-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-3-sulfanyl-propanoic acid CAS Name: 2-[acetyl-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-3-mercaptopropanoic acid IUPAC Name: 2-[acetyl-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[acetyl-(1,4-diketo-2,3-dihydrophthalazin-5-yl)amino]-3-mercapto-propionic acid Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC2=C1C(=O)NNC2=O)C(CS)C(=O)O

Isomeric SMILES

CC(=O)N(C1=CC=CC2=C1C(=O)NNC2=O)C(CS)C(=O)O

InChI

InChI=1S/C13H13N3O5S/c1-6(17)16(9(5-22)13(20)21)8-4-2-3-7-10(8)12(19)15-14-11(7)18/h2-4,9,22H,5H2,1H3,(H,14,18)(H,15,19)(H,20,21)