methyl (2R)-2-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C19H25N3O4S/c1-12(2)11-22-18(24)14-8-6-5-7-13(14)16(21-22)17(23)20-15(9-10-27-4)19(25)26-3/h5-8,12,15H,9-11H2,1-4H3,(H,20,23)/t15-/m1/s1