[1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(furan-2-ylcarbonylamino)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]propanoic acid [1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate Traditional Name: (2S)-2-(2-furoylamino)propionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)N(C)C1(CCCCC1)C#N)NC(=O)C2=CC=CO2

Isomeric SMILES

C[C@@H](C(=O)OC(C)C(=O)N(C)C1(CCCCC1)C#N)NC(=O)C2=CC=CO2

InChI

InChI=1S/C19H25N3O5/c1-13(21-16(23)15-8-7-11-26-15)18(25)27-14(2)17(24)22(3)19(12-20)9-5-4-6-10-19/h7-8,11,13-14H,4-6,9-10H2,1-3H3,(H,21,23)/t13-,14?/m0/s1