(2R)-4-methylsulfanyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanoate

Systemtic Name: (2R)-4-methylsulfanyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanoate Openeye Name: (2R)-4-methylsulfanyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]butanoate IUPAC Name: (2R)-4-methylsulfanyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoate Traditional Name: (2R)-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-4-(methylthio)butyrate Formula: C15H16N3O4S- MolecularWeight: 334.37024

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CSCC[C@H](C(=O)[O-])NC(=O)CC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C15H17N3O4S/c1-23-7-6-11(15(21)22)16-13(19)8-12-9-4-2-3-5-10(9)14(20)18-17-12/h2-5,11H,6-8H2,1H3,(H,16,19)(H,18,20)(H,21,22)/p-1/t11-/m1/s1