1-(2-azanyl-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylamino)-2-methyl-1-oxidanylidene-pent-4-en-2-yl]-4-(4-imidazol-1-ylphthalazin-1-yl)oxy-pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanyl-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylamino)-2-methyl-1-oxidanylidene-pent-4-en-2-yl]-4-(4-imidazol-1-ylphthalazin-1-yl)oxy-pyrrolidine-2-carboxamide Openeye Name: 1-(2-amino-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-1-methyl-but-3-enyl]-4-(4-imidazol-1-ylphthalazin-1-yl)oxy-pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-3,3-dimethyl-1-oxobutyl)-N-[1-(cyclopropylsulfonylamino)-2-methyl-1-oxopent-4-en-2-yl]-4-[[4-(1-imidazolyl)-1-phthalazinyl]oxy]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-amino-3,3-dimethylbutanoyl)-N-[1-(cyclopropylsulfonylamino)-2-methyl-1-oxopent-4-en-2-yl]-4-(4-imidazol-1-ylphthalazin-1-yl)oxypyrrolidine-2-carboxamide Traditional Name: 1-(2-amino-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-1-methyl-but-3-enyl]-4-(4-imidazol-1-ylphthalazin-1-yl)oxy-pyrrolidine-2-carboxamide Formula: C31H40N8O6S MolecularWeight: 652.7643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC(C)(CC=C)C(=O)NS(=O)(=O)C2CC2)OC3=NN=C(C4=CC=CC=C43)N5C=CN=C5)N

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC(C)(CC=C)C(=O)NS(=O)(=O)C2CC2)OC3=NN=C(C4=CC=CC=C43)N5C=CN=C5)N

InChI

InChI=1S/C31H40N8O6S/c1-6-13-31(5,29(42)37-46(43,44)20-11-12-20)34-26(40)23-16-19(17-39(23)28(41)24(32)30(2,3)4)45-27-22-10-8-7-9-21(22)25(35-36-27)38-15-14-33-18-38/h6-10,14-15,18-20,23-24H,1,11-13,16-17,32H2,2-5H3,(H,34,40)(H,37,42)