methyl 3-[[(2S)-1-methoxy-3-[4-(1-methyl-2-oxidanylidene-pyridin-3-yl)phenyl]-1-oxidanylidene-propan-2-yl]carbamoyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-[[(2S)-1-methoxy-3-[4-(1-methyl-2-oxidanylidene-pyridin-3-yl)phenyl]-1-oxidanylidene-propan-2-yl]carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[(1S)-2-methoxy-1-[[4-(1-methyl-2-oxo-3-pyridyl)phenyl]methyl]-2-oxo-ethyl]carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[(2S)-1-methoxy-3-[4-(1-methyl-2-oxo-3-pyridinyl)phenyl]-1-oxopropan-2-yl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-1-methoxy-3-[4-(1-methyl-2-oxopyridin-3-yl)phenyl]-1-oxopropan-2-yl]carbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[(1S)-2-keto-1-[4-(2-keto-1-methyl-3-pyridyl)benzyl]-2-methoxy-ethyl]carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C29H34N2O6 MolecularWeight: 506.59006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C(C1=O)C2=CC=C(C=C2)CC(C(=O)OC)NC(=O)C34CC5CC(C3)CC(C5)(C4)C(=O)OC

Isomeric SMILES

CN1C=CC=C(C1=O)C2=CC=C(C=C2)C[C@@H](C(=O)OC)NC(=O)C34CC5CC(C3)CC(C5)(C4)C(=O)OC

InChI

InChI=1S/C29H34N2O6/c1-31-10-4-5-22(24(31)32)21-8-6-18(7-9-21)12-23(25(33)36-2)30-26(34)28-13-19-11-20(14-28)16-29(15-19,17-28)27(35)37-3/h4-10,19-20,23H,11-17H2,1-3H3,(H,30,34)/t19?,20?,23-,28?,29?/m0/s1