methyl (2S)-4-methyl-2-[[2-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamoylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[2-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamoylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]pentanoate CAS Name: (2S)-4-methyl-2-[[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)anilino]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]pentanoate Traditional Name: (2S)-2-[[5-(4-keto-3H-phthalazin-1-yl)-2-methyl-phenyl]carbamoylamino]-4-methyl-valeric acid methyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)N[C@@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C23H26N4O4/c1-13(2)11-19(22(29)31-4)25-23(30)24-18-12-15(10-9-14(18)3)20-16-7-5-6-8-17(16)21(28)27-26-20/h5-10,12-13,19H,11H2,1-4H3,(H,27,28)(H2,24,25,30)/t19-/m0/s1