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

Systemtic Name: methyl 3-[[(2S)-3-[4-(1-methyl-2-oxidanylidene-pyridin-3-yl)phenyl]-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[(1S)-2-benzyloxy-1-[[4-(1-methyl-2-oxo-3-pyridyl)phenyl]methyl]-2-oxo-ethyl]carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[(2S)-3-[4-(1-methyl-2-oxo-3-pyridinyl)phenyl]-1-oxo-1-phenylmethoxypropan-2-yl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-3-[4-(1-methyl-2-oxopyridin-3-yl)phenyl]-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[(1S)-2-benzoxy-2-keto-1-[4-(2-keto-1-methyl-3-pyridyl)benzyl]ethyl]carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C35H38N2O6 MolecularWeight: 582.68602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C(C1=O)C2=CC=C(C=C2)CC(C(=O)OCC3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)C(=O)OC

Isomeric SMILES

CN1C=CC=C(C1=O)C2=CC=C(C=C2)C[C@@H](C(=O)OCC3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)C(=O)OC

InChI

InChI=1S/C35H38N2O6/c1-37-14-6-9-28(30(37)38)27-12-10-23(11-13-27)16-29(31(39)43-21-24-7-4-3-5-8-24)36-32(40)34-17-25-15-26(18-34)20-35(19-25,22-34)33(41)42-2/h3-14,25-26,29H,15-22H2,1-2H3,(H,36,40)/t25?,26?,29-,34?,35?/m0/s1