tert-butyl (2S)-4-methyl-2-[2-[6-oxidanylidene-3-phenyl-5-(phenylmethyl)pyridazin-1-yl]ethanoylamino]pentanoate

Systemtic Name: tert-butyl (2S)-4-methyl-2-[2-[6-oxidanylidene-3-phenyl-5-(phenylmethyl)pyridazin-1-yl]ethanoylamino]pentanoate Openeye Name: tert-butyl (2S)-2-[[2-(5-benzyl-6-oxo-3-phenyl-pyridazin-1-yl)acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[1-oxo-2-[6-oxo-3-phenyl-5-(phenylmethyl)-1-pyridazinyl]ethyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-(5-benzyl-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-(5-benzyl-6-keto-3-phenyl-pyridazin-1-yl)acetyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)CN1C(=O)C(=CC(=N1)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)CN1C(=O)C(=CC(=N1)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C29H35N3O4/c1-20(2)16-25(28(35)36-29(3,4)5)30-26(33)19-32-27(34)23(17-21-12-8-6-9-13-21)18-24(31-32)22-14-10-7-11-15-22/h6-15,18,20,25H,16-17,19H2,1-5H3,(H,30,33)/t25-/m0/s1