(phenylmethyl) (2S)-4-(2-adamantylmethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (2S)-4-(2-adamantylmethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: benzyl (2S)-4-(2-adamantylmethylamino)-2-(tert-butoxycarbonylamino)-4-oxo-butanoate CAS Name: (2S)-4-(2-adamantylmethylamino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-(2-adamantylmethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (2S)-4-(2-adamantylmethylamino)-2-(tert-butoxycarbonylamino)-4-keto-butyric acid benzyl ester Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC1C2CC3CC(C2)CC1C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H38N2O5/c1-27(2,3)34-26(32)29-23(25(31)33-16-17-7-5-4-6-8-17)14-24(30)28-15-22-20-10-18-9-19(12-20)13-21(22)11-18/h4-8,18-23H,9-16H2,1-3H3,(H,28,30)(H,29,32)/t18?,19?,20?,21?,22?,23-/m0/s1