[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl] 3-azanyl-2-methyl-adamantane-1-carboxylate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl] 3-azanyl-2-methyl-adamantane-1-carboxylate Openeye Name: [2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl] 3-amino-2-methyl-adamantane-1-carboxylate CAS Name: 3-amino-2-methyl-1-adamantanecarboxylic acid [2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl] 3-amino-2-methyladamantane-1-carboxylate Traditional Name: 3-amino-2-methyl-adamantane-1-carboxylic acid [2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl] ester Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2(CC3CC(C2)CC1(C3)N)C(=O)OC(=O)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1C2(CC3CC(C2)CC1(C3)N)C(=O)OC(=O)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H36N2O5/c1-16-25(12-18-10-19(13-25)15-26(16,27)14-18)22(30)32-21(29)20(11-17-8-6-5-7-9-17)28-23(31)33-24(2,3)4/h5-9,16,18-20H,10-15,27H2,1-4H3,(H,28,31)