[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H23N3O5/c23-15-22(10-4-5-11-22)25-19(26)14-30-21(28)17(13-16-7-2-1-3-8-16)24-20(27)18-9-6-12-29-18/h1-3,6-9,12,17H,4-5,10-11,13-14H2,(H,24,27)(H,25,26)/t17-/m0/s1