2-adamantyl N-[3-(2-acetamido-1,3-thiazol-4-yl)-2-methyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate

Systemtic Name: 2-adamantyl N-[3-(2-acetamido-1,3-thiazol-4-yl)-2-methyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate Openeye Name: 2-adamantyl N-[1-[(2-acetamidothiazol-4-yl)methyl]-1-methyl-2-oxo-2-(phenethylamino)ethyl]carbamate CAS Name: N-[3-(2-acetamido-4-thiazolyl)-2-methyl-1-oxo-1-(phenethylamino)propan-2-yl]carbamic acid 2-adamantyl ester IUPAC Name: 2-adamantyl N-[3-(2-acetamido-1,3-thiazol-4-yl)-2-methyl-1-oxo-1-(phenethylamino)propan-2-yl]carbamate Traditional Name: N-[1-[(2-acetamidothiazol-4-yl)methyl]-2-keto-1-methyl-2-(phenethylamino)ethyl]carbamic acid 2-adamantyl ester Formula: C28H36N4O4S MolecularWeight: 524.67484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)CC(C)(C(=O)NCCC2=CC=CC=C2)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(=O)NC1=NC(=CS1)CC(C)(C(=O)NCCC2=CC=CC=C2)NC(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C28H36N4O4S/c1-17(33)30-26-31-23(16-37-26)15-28(2,25(34)29-9-8-18-6-4-3-5-7-18)32-27(35)36-24-21-11-19-10-20(13-21)14-22(24)12-19/h3-7,16,19-22,24H,8-15H2,1-2H3,(H,29,34)(H,32,35)(H,30,31,33)