5-[1-adamantylcarbamoyl(pyridin-2-ylmethyl)amino]-6-methoxy-6-oxidanylidene-hexanoic acid

Systemtic Name: 5-[1-adamantylcarbamoyl(pyridin-2-ylmethyl)amino]-6-methoxy-6-oxidanylidene-hexanoic acid Openeye Name: 5-[1-adamantylcarbamoyl(2-pyridylmethyl)amino]-6-methoxy-6-oxo-hexanoic acid CAS Name: 5-[[(1-adamantylamino)-oxomethyl]-(2-pyridinylmethyl)amino]-6-methoxy-6-oxohexanoic acid IUPAC Name: 5-[1-adamantylcarbamoyl(pyridin-2-ylmethyl)amino]-6-methoxy-6-oxohexanoic acid Traditional Name: 5-[1-adamantylcarbamoyl(2-pyridylmethyl)amino]-6-keto-6-methoxy-hexanoic acid Formula: C24H33N3O5 MolecularWeight: 443.53592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC(=O)O)N(CC1=CC=CC=N1)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C(CCCC(=O)O)N(CC1=CC=CC=N1)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33N3O5/c1-32-22(30)20(6-4-7-21(28)29)27(15-19-5-2-3-8-25-19)23(31)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h2-3,5,8,16-18,20H,4,6-7,9-15H2,1H3,(H,26,31)(H,28,29)