[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl] (3R)-3-oxidanylpyrrolidine-1-carboxylate

Systemtic Name: [(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl] (3R)-3-oxidanylpyrrolidine-1-carboxylate Openeye Name: [(1S)-2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-oxo-ethyl] (3R)-3-hydroxypyrrolidine-1-carboxylate CAS Name: (3R)-3-hydroxy-1-pyrrolidinecarboxylic acid [(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl] (3R)-3-hydroxypyrrolidine-1-carboxylate Traditional Name: (3R)-3-hydroxypyrrolidine-1-carboxylic acid [(1S)-2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-keto-ethyl] ester Formula: C16H25N3O4 MolecularWeight: 323.3874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC#N)OC(=O)N2CCC(C2)O

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)NCC#N)OC(=O)N2CC[C@H](C2)O

InChI

InChI=1S/C16H25N3O4/c17-7-8-18-15(21)14(10-12-4-2-1-3-5-12)23-16(22)19-9-6-13(20)11-19/h12-14,20H,1-6,8-11H2,(H,18,21)/t13-,14+/m1/s1