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

Systemtic Name: 2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-[3-(2-nitrophenyl)-1,2-oxazol-5-yl]propanoic acid Openeye Name: 2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-[3-(2-nitrophenyl)isoxazol-5-yl]propanoic acid CAS Name: 2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]-3-[3-(2-nitrophenyl)-5-isoxazolyl]propanoic acid IUPAC Name: 2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-[3-(2-nitrophenyl)-1,2-oxazol-5-yl]propanoic acid Traditional Name: 2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-3-[3-(2-nitrophenyl)isoxazol-5-yl]propionic acid Formula: C25H27N3O8 MolecularWeight: 497.49718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NC(CC4=CC(=NO4)C5=CC=CC=C5[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NC(CC4=CC(=NO4)C5=CC=CC=C5[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H27N3O8/c1-35-23(32)25-11-14-6-15(12-25)10-24(9-14,13-25)22(31)26-19(21(29)30)8-16-7-18(27-36-16)17-4-2-3-5-20(17)28(33)34/h2-5,7,14-15,19H,6,8-13H2,1H3,(H,26,31)(H,29,30)