tert-butyl 4-[3-[tert-butylsulfonylmethyl-(3-phenylpropanoylamino)amino]-3-oxidanylidene-propyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[tert-butylsulfonylmethyl-(3-phenylpropanoylamino)amino]-3-oxidanylidene-propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[3-[tert-butylsulfonylmethyl-(3-phenylpropanoylamino)amino]-3-oxo-propyl]imidazole-1-carboxylate CAS Name: 4-[3-[tert-butylsulfonylmethyl-[(1-oxo-3-phenylpropyl)amino]amino]-3-oxopropyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[tert-butylsulfonylmethyl-(3-phenylpropanoylamino)amino]-3-oxopropyl]imidazole-1-carboxylate Traditional Name: 4-[3-[tert-butylsulfonylmethyl-(hydrocinnamoylamino)amino]-3-keto-propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C25H36N4O6S MolecularWeight: 520.64154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1)CCC(=O)N(CS(=O)(=O)C(C)(C)C)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1)CCC(=O)N(CS(=O)(=O)C(C)(C)C)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C25H36N4O6S/c1-24(2,3)35-23(32)28-16-20(26-17-28)13-15-22(31)29(18-36(33,34)25(4,5)6)27-21(30)14-12-19-10-8-7-9-11-19/h7-11,16-17H,12-15,18H2,1-6H3,(H,27,30)