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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C(CC1=CC=CC=C1)NC(=O)N)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N)C2(CCCCC2)C#N

InChI

InChI=1S/C20H26N4O4/c1-24(20(14-21)10-6-3-7-11-20)17(25)13-28-18(26)16(23-19(22)27)12-15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3,(H3,22,23,27)/t16-/m0/s1