tert-butyl N-[1-[1-azanyl-3-(hydroxymethyl)-2-adamantyl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[1-azanyl-3-(hydroxymethyl)-2-adamantyl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[1-amino-3-(hydroxymethyl)-2-adamantyl]-1-benzyl-2-oxo-ethyl]carbamate CAS Name: N-[1-[1-amino-3-(hydroxymethyl)-2-adamantyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[1-amino-3-(hydroxymethyl)-2-adamantyl]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[2-(1-amino-3-methylol-2-adamantyl)-1-benzyl-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)C2C3(CC4CC(C3)CC2(C4)N)CO

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)C2C3(CC4CC(C3)CC2(C4)N)CO

InChI

InChI=1S/C25H36N2O4/c1-23(2,3)31-22(30)27-19(10-16-7-5-4-6-8-16)20(29)21-24(15-28)11-17-9-18(12-24)14-25(21,26)13-17/h4-8,17-19,21,28H,9-15,26H2,1-3H3,(H,27,30)