tert-butyl 3-[2-(1-adamantyl)ethylcarbamoyl-(3-pyridin-4-ylpropyl)amino]propanoate

Systemtic Name: tert-butyl 3-[2-(1-adamantyl)ethylcarbamoyl-(3-pyridin-4-ylpropyl)amino]propanoate Openeye Name: tert-butyl 3-[2-(1-adamantyl)ethylcarbamoyl-[3-(4-pyridyl)propyl]amino]propanoate CAS Name: 3-[[[2-(1-adamantyl)ethylamino]-oxomethyl]-(3-pyridin-4-ylpropyl)amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(1-adamantyl)ethylcarbamoyl-(3-pyridin-4-ylpropyl)amino]propanoate Traditional Name: 3-[2-(1-adamantyl)ethylcarbamoyl-[3-(4-pyridyl)propyl]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(CCCC1=CC=NC=C1)C(=O)NCCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)OC(=O)CCN(CCCC1=CC=NC=C1)C(=O)NCCC23CC4CC(C2)CC(C4)C3

InChI

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