[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H24N4O4 MolecularWeight: 372.41826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C19H24N4O4/c20-13-19(9-5-2-6-10-19)23-16(24)12-27-17(25)15(22-18(21)26)11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-12H2,(H,23,24)(H3,21,22,26)/t15-/m0/s1