[(2S)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S,4S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [(2S)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S,4S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [(1S)-2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S,4S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-[1-adamantyl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid [(2S)-1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid [(1S)-2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H33N3O6 MolecularWeight: 447.52462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)OC(=O)C2CC(CN2C(=O)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CC1)OC(=O)[C@@H]2C[C@@H](CN2C(=O)C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C23H33N3O6/c1-12(19(28)25-22(31)24-16-2-3-16)32-20(29)18-7-17(27)11-26(18)21(30)23-8-13-4-14(9-23)6-15(5-13)10-23/h12-18,27H,2-11H2,1H3,(H2,24,25,28,31)/t12-,13?,14?,15?,17-,18-,23?/m0/s1