tert-butyl 3-[2-(1-adamantyl)ethyl-(3-pyridin-4-ylpropylcarbamoyl)amino]propanoate

Systemtic Name: tert-butyl 3-[2-(1-adamantyl)ethyl-(3-pyridin-4-ylpropylcarbamoyl)amino]propanoate Openeye Name: tert-butyl 3-[2-(1-adamantyl)ethyl-[3-(4-pyridyl)propylcarbamoyl]amino]propanoate CAS Name: 3-[2-(1-adamantyl)ethyl-[oxo-(3-pyridin-4-ylpropylamino)methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(1-adamantyl)ethyl-(3-pyridin-4-ylpropylcarbamoyl)amino]propanoate Traditional Name: 3-[2-(1-adamantyl)ethyl-[3-(4-pyridyl)propylcarbamoyl]amino]propionic acid tert-butyl ester Formula: C28H43N3O3 MolecularWeight: 469.65932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=NC=C4

InChI

InChI=1S/C28H43N3O3/c1-27(2,3)34-25(32)8-13-31(26(33)30-10-4-5-21-6-11-29-12-7-21)14-9-28-18-22-15-23(19-28)17-24(16-22)20-28/h6-7,11-12,22-24H,4-5,8-10,13-20H2,1-3H3,(H,30,33)