tert-butyl 3-[2-(1-adamantyl)ethyl-[(2-methyl-3-pyridin-4-yl-propyl)carbamoyl]amino]propanoate

Systemtic Name: tert-butyl 3-[2-(1-adamantyl)ethyl-[(2-methyl-3-pyridin-4-yl-propyl)carbamoyl]amino]propanoate Openeye Name: tert-butyl 3-[2-(1-adamantyl)ethyl-[[2-methyl-3-(4-pyridyl)propyl]carbamoyl]amino]propanoate CAS Name: 3-[2-(1-adamantyl)ethyl-[[(2-methyl-3-pyridin-4-ylpropyl)amino]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(1-adamantyl)ethyl-[(2-methyl-3-pyridin-4-ylpropyl)carbamoyl]amino]propanoate Traditional Name: 3-[2-(1-adamantyl)ethyl-[[2-methyl-3-(4-pyridyl)propyl]carbamoyl]amino]propionic acid tert-butyl ester Formula: C29H45N3O3 MolecularWeight: 483.6859

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=NC=C1)CNC(=O)N(CCC(=O)OC(C)(C)C)CCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(CC1=CC=NC=C1)CNC(=O)N(CCC(=O)OC(C)(C)C)CCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C29H45N3O3/c1-21(13-22-5-9-30-10-6-22)20-31-27(34)32(11-7-26(33)35-28(2,3)4)12-8-29-17-23-14-24(18-29)16-25(15-23)19-29/h5-6,9-10,21,23-25H,7-8,11-20H2,1-4H3,(H,31,34)