methyl (3S)-4-(1-adamantylmethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl (3S)-4-(1-adamantylmethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: methyl (3S)-4-(1-adamantylmethylamino)-3-(tert-butoxycarbonylamino)-4-oxo-butanoate CAS Name: (3S)-4-(1-adamantylmethylamino)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3S)-4-(1-adamantylmethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (3S)-4-(1-adamantylmethylamino)-3-(tert-butoxycarbonylamino)-4-keto-butyric acid methyl ester Formula: C21H34N2O5 MolecularWeight: 394.50506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)OC)C(=O)NCC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OC)C(=O)NCC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C21H34N2O5/c1-20(2,3)28-19(26)23-16(8-17(24)27-4)18(25)22-12-21-9-13-5-14(10-21)7-15(6-13)11-21/h13-16H,5-12H2,1-4H3,(H,22,25)(H,23,26)/t13?,14?,15?,16-,21?/m0/s1