3-[[2-(2,2-dimethylpropanoyloxymethylsulfanyl)-3-phenyl-propanoyl]amino]-4-oxidanylidene-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid

Systemtic Name: 3-[[2-(2,2-dimethylpropanoyloxymethylsulfanyl)-3-phenyl-propanoyl]amino]-4-oxidanylidene-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid Openeye Name: 3-[[2-(2,2-dimethylpropanoyloxymethylsulfanyl)-3-phenyl-propanoyl]amino]-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid CAS Name: 3-[[2-[(2,2-dimethyl-1-oxopropoxy)methylthio]-1-oxo-3-phenylpropyl]amino]-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid IUPAC Name: 3-[[2-(2,2-dimethylpropanoyloxymethylsulfanyl)-3-phenylpropanoyl]amino]-4-oxo-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid Traditional Name: 4-keto-3-[[3-phenyl-2-(pivaloyloxymethylthio)propanoyl]amino]-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxylic acid Formula: C24H33N3O6S MolecularWeight: 491.60032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCSC(CC1=CC=CC=C1)C(=O)NC2CCN3CCCC(N3C2=O)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)OCSC(CC1=CC=CC=C1)C(=O)NC2CCN3CCCC(N3C2=O)C(=O)O

InChI

InChI=1S/C24H33N3O6S/c1-24(2,3)23(32)33-15-34-19(14-16-8-5-4-6-9-16)20(28)25-17-11-13-26-12-7-10-18(22(30)31)27(26)21(17)29/h4-6,8-9,17-19H,7,10-15H2,1-3H3,(H,25,28)(H,30,31)