[2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]amino]-3-phenyl-propanoyl] 3-azanyladamantane-1-carboxylate

Systemtic Name: [2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]amino]-3-phenyl-propanoyl] 3-azanyladamantane-1-carboxylate Openeye Name: [2-[[2-(tert-butoxycarbonylamino)acetyl]-methyl-amino]-3-phenyl-propanoyl] 3-aminoadamantane-1-carboxylate CAS Name: 3-amino-1-adamantanecarboxylic acid [2-[methyl-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl] ester IUPAC Name: [2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-phenylpropanoyl] 3-aminoadamantane-1-carboxylate Traditional Name: 3-aminoadamantane-1-carboxylic acid [2-[[2-(tert-butoxycarbonylamino)acetyl]-methyl-amino]-3-phenyl-propanoyl] ester Formula: C28H39N3O6 MolecularWeight: 513.62576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)OC(=O)C23CC4CC(C2)CC(C4)(C3)N

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)OC(=O)C23CC4CC(C2)CC(C4)(C3)N

InChI

InChI=1S/C28H39N3O6/c1-26(2,3)37-25(35)30-16-22(32)31(4)21(11-18-8-6-5-7-9-18)23(33)36-24(34)27-12-19-10-20(13-27)15-28(29,14-19)17-27/h5-9,19-21H,10-17,29H2,1-4H3,(H,30,35)