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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)NC1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)NC1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C23H26N4O4/c1-5-13(2)19(22(29)31-4)25-23(30)24-18-12-15(11-10-14(18)3)20-16-8-6-7-9-17(16)21(28)27-26-20/h6-13,19H,5H2,1-4H3,(H,27,28)(H2,24,25,30)/t13-,19-/m0/s1