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

Systemtic Name: tert-butyl (2S)-2-[2-[6-oxidanylidene-3-phenyl-5-(phenylmethyl)pyridazin-1-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[2-(5-benzyl-6-oxo-3-phenyl-pyridazin-1-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1-oxo-2-[6-oxo-3-phenyl-5-(phenylmethyl)-1-pyridazinyl]ethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-(5-benzyl-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(5-benzyl-6-keto-3-phenyl-pyridazin-1-yl)acetyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C32H33N3O4 MolecularWeight: 523.62212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)CN2C(=O)C(=CC(=N2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2C(=O)C(=CC(=N2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C32H33N3O4/c1-32(2,3)39-31(38)28(20-24-15-9-5-10-16-24)33-29(36)22-35-30(37)26(19-23-13-7-4-8-14-23)21-27(34-35)25-17-11-6-12-18-25/h4-18,21,28H,19-20,22H2,1-3H3,(H,33,36)/t28-/m0/s1