6-(dimethylcarbamoylamino)-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]hex-4-ynoic acid

Systemtic Name: 6-(dimethylcarbamoylamino)-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]hex-4-ynoic acid Openeye Name: 6-(dimethylcarbamoylamino)-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]hex-4-ynoic acid CAS Name: 6-[[dimethylamino(oxo)methyl]amino]-2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]-4-hexynoic acid IUPAC Name: 6-(dimethylcarbamoylamino)-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]hex-4-ynoic acid Traditional Name: 2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-6-(dimethylcarbamoylamino)hex-4-ynoic acid Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O6/c1-25(2)20(30)23-7-5-4-6-16(17(26)27)24-18(28)21-9-14-8-15(10-21)12-22(11-14,13-21)19(29)31-3/h14-16H,6-13H2,1-3H3,(H,23,30)(H,24,28)(H,26,27)