ditert-butyl (2S)-2-[2-[6-oxidanylidene-3-phenyl-5-(phenylmethyl)pyridazin-1-yl]ethanoylamino]butanedioate

Systemtic Name: ditert-butyl (2S)-2-[2-[6-oxidanylidene-3-phenyl-5-(phenylmethyl)pyridazin-1-yl]ethanoylamino]butanedioate Openeye Name: ditert-butyl (2S)-2-[[2-(5-benzyl-6-oxo-3-phenyl-pyridazin-1-yl)acetyl]amino]butanedioate CAS Name: (2S)-2-[[1-oxo-2-[6-oxo-3-phenyl-5-(phenylmethyl)-1-pyridazinyl]ethyl]amino]butanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[2-(5-benzyl-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanedioate Traditional Name: (2S)-2-[[2-(5-benzyl-6-keto-3-phenyl-pyridazin-1-yl)acetyl]amino]succinic acid ditert-butyl ester Formula: C31H37N3O6 MolecularWeight: 547.64198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)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)OC(=O)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/C31H37N3O6/c1-30(2,3)39-27(36)19-25(29(38)40-31(4,5)6)32-26(35)20-34-28(37)23(17-21-13-9-7-10-14-21)18-24(33-34)22-15-11-8-12-16-22/h7-16,18,25H,17,19-20H2,1-6H3,(H,32,35)/t25-/m0/s1