3-[3-(2-cyanophenyl)-1,2-oxazol-5-yl]-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]propanoic acid

Systemtic Name: 3-[3-(2-cyanophenyl)-1,2-oxazol-5-yl]-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]propanoic acid Openeye Name: 3-[3-(2-cyanophenyl)isoxazol-5-yl]-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]propanoic acid CAS Name: 3-[3-(2-cyanophenyl)-5-isoxazolyl]-2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[3-(2-cyanophenyl)-1,2-oxazol-5-yl]-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]propanoic acid Traditional Name: 2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-3-[3-(2-cyanophenyl)isoxazol-5-yl]propionic acid Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NC(CC4=CC(=NO4)C5=CC=CC=C5C#N)C(=O)O

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NC(CC4=CC(=NO4)C5=CC=CC=C5C#N)C(=O)O

InChI

InChI=1S/C26H27N3O6/c1-34-24(33)26-11-15-6-16(12-26)10-25(9-15,14-26)23(32)28-21(22(30)31)8-18-7-20(29-35-18)19-5-3-2-4-17(19)13-27/h2-5,7,15-16,21H,6,8-12,14H2,1H3,(H,28,32)(H,30,31)