[(2S)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [(2S)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [(1S)-2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [(1S)-2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H26ClN3O4 MolecularWeight: 419.90184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C21H26ClN3O4/c1-12(18(27)24-17-4-3-16(22)10-23-17)29-19(28)20-6-14-5-15(7-20)9-21(8-14,11-20)25-13(2)26/h3-4,10,12,14-15H,5-9,11H2,1-2H3,(H,25,26)(H,23,24,27)/t12-,14-,15+,20?,21?/m0/s1