methyl 1-[2-cyclohexyl-2-(pent-4-enoylamino)ethanoyl]-4-[(4-iodophenyl)sulfonylamino]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-cyclohexyl-2-(pent-4-enoylamino)ethanoyl]-4-[(4-iodophenyl)sulfonylamino]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-cyclohexyl-2-(pent-4-enoylamino)acetyl]-4-[(4-iodophenyl)sulfonylamino]pyrrolidine-2-carboxylate CAS Name: 1-[2-cyclohexyl-1-oxo-2-(1-oxopent-4-enylamino)ethyl]-4-[(4-iodophenyl)sulfonylamino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-cyclohexyl-2-(pent-4-enoylamino)acetyl]-4-[(4-iodophenyl)sulfonylamino]pyrrolidine-2-carboxylate Traditional Name: 1-[2-cyclohexyl-2-(pent-4-enoylamino)acetyl]-4-[(4-iodophenyl)sulfonylamino]pyrrolidine-2-carboxylic acid methyl ester Formula: C25H34IN3O6S MolecularWeight: 631.52343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C(=O)C(C2CCCCC2)NC(=O)CCC=C)NS(=O)(=O)C3=CC=C(C=C3)I

Isomeric SMILES

COC(=O)C1CC(CN1C(=O)C(C2CCCCC2)NC(=O)CCC=C)NS(=O)(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C25H34IN3O6S/c1-3-4-10-22(30)27-23(17-8-6-5-7-9-17)24(31)29-16-19(15-21(29)25(32)35-2)28-36(33,34)20-13-11-18(26)12-14-20/h3,11-14,17,19,21,23,28H,1,4-10,15-16H2,2H3,(H,27,30)