(2R)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxamide Openeye Name: (2R)-N-[4-(4-acetamidophenyl)thiazol-2-yl]-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2R)-N-[4-(4-acetamidophenyl)-2-thiazolyl]-1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2R)-N-[4-(4-acetamidophenyl)thiazol-2-yl]-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN3C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H]3CCCN3C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H32N4O3S/c1-16(32)28-21-6-4-20(5-7-21)22-15-35-26(29-22)30-24(33)23-3-2-8-31(23)25(34)27-12-17-9-18(13-27)11-19(10-17)14-27/h4-7,15,17-19,23H,2-3,8-14H2,1H3,(H,28,32)(H,29,30,33)/t17?,18?,19?,23-,27?/m1/s1