methyl 4-[(3-bromophenyl)sulfonylamino]-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 4-[(3-bromophenyl)sulfonylamino]-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 4-[(3-bromophenyl)sulfonylamino]-1-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]pyrrolidine-2-carboxylate CAS Name: 4-[(3-bromophenyl)sulfonylamino]-1-[2-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3-bromophenyl)sulfonylamino]-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate Traditional Name: 4-[(3-bromophenyl)sulfonylamino]-1-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C25H36BrN3O7S MolecularWeight: 602.53824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)OC)NS(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)OC)NS(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C25H36BrN3O7S/c1-25(2,3)36-24(32)27-21(16-9-6-5-7-10-16)22(30)29-15-18(14-20(29)23(31)35-4)28-37(33,34)19-12-8-11-17(26)13-19/h8,11-13,16,18,20-21,28H,5-7,9-10,14-15H2,1-4H3,(H,27,32)