methyl (2R)-4-methyl-2-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]pentanoate CAS Name: (2R)-4-methyl-2-[[1-oxo-2-[(4-phenyl-1-phthalazinyl)thio]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]pentanoate Traditional Name: (2R)-4-methyl-2-[[2-[(4-phenylphthalazin-1-yl)thio]acetyl]amino]valeric acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3S/c1-15(2)13-19(23(28)29-3)24-20(27)14-30-22-18-12-8-7-11-17(18)21(25-26-22)16-9-5-4-6-10-16/h4-12,15,19H,13-14H2,1-3H3,(H,24,27)/t19-/m1/s1