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

Systemtic Name: 6-(dimethylamino)-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-6-oxidanylidene-hex-4-ynoic acid Openeye Name: 6-(dimethylamino)-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-6-oxo-hex-4-ynoic acid CAS Name: 6-(dimethylamino)-2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]-6-oxo-4-hexynoic acid IUPAC Name: 6-(dimethylamino)-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-6-oxohex-4-ynoic acid Traditional Name: 2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-6-(dimethylamino)-6-keto-hex-4-ynoic acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6/c1-23(2)16(24)6-4-5-15(17(25)26)22-18(27)20-8-13-7-14(9-20)11-21(10-13,12-20)19(28)29-3/h13-15H,5,7-12H2,1-3H3,(H,22,27)(H,25,26)