7-(dimethylamino)-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-7-oxidanylidene-hept-4-ynoic acid

Systemtic Name: 7-(dimethylamino)-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-7-oxidanylidene-hept-4-ynoic acid Openeye Name: 7-(dimethylamino)-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-7-oxo-hept-4-ynoic acid CAS Name: 7-(dimethylamino)-2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]-7-oxo-4-heptynoic acid IUPAC Name: 7-(dimethylamino)-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-7-oxohept-4-ynoic acid Traditional Name: 2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-7-(dimethylamino)-7-keto-hept-4-ynoic acid Formula: C22H30N2O6 MolecularWeight: 418.4834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CC#CCC(C(=O)O)NC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC

Isomeric SMILES

CN(C)C(=O)CC#CCC(C(=O)O)NC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC

InChI

InChI=1S/C22H30N2O6/c1-24(2)17(25)7-5-4-6-16(18(26)27)23-19(28)21-9-14-8-15(10-21)12-22(11-14,13-21)20(29)30-3/h14-16H,6-13H2,1-3H3,(H,23,28)(H,26,27)