methyl 3-[[1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-hex-4-yn-2-yl]carbamoyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-[[1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-hex-4-yn-2-yl]carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[5-(tert-butoxycarbonylamino)-1-methoxycarbonyl-pent-3-ynyl]carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[1-methoxy-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohex-4-yn-2-yl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohex-4-yn-2-yl]carbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[5-(tert-butoxycarbonylamino)-1-carbomethoxy-pent-3-ynyl]carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C25H36N2O7 MolecularWeight: 476.56254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O7/c1-23(2,3)34-22(31)26-9-7-6-8-18(19(28)32-4)27-20(29)24-11-16-10-17(12-24)14-25(13-16,15-24)21(30)33-5/h16-18H,8-15H2,1-5H3,(H,26,31)(H,27,29)