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

Systemtic Name: tert-butyl (2S)-2-[2-[6-oxidanylidene-5-(phenylmethyl)-3-thiophen-2-yl-pyridazin-1-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[2-[5-benzyl-6-oxo-3-(2-thienyl)pyridazin-1-yl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1-oxo-2-[6-oxo-5-(phenylmethyl)-3-thiophen-2-yl-1-pyridazinyl]ethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-(5-benzyl-6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[5-benzyl-6-keto-3-(2-thienyl)pyridazin-1-yl]acetyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C30H31N3O4S MolecularWeight: 529.64984

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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=CS3)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=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C30H31N3O4S/c1-30(2,3)37-29(36)25(18-22-13-8-5-9-14-22)31-27(34)20-33-28(35)23(17-21-11-6-4-7-12-21)19-24(32-33)26-15-10-16-38-26/h4-16,19,25H,17-18,20H2,1-3H3,(H,31,34)/t25-/m0/s1