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

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C(CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C21H28N4O4/c1-15(18(26)25(2)21(14-22)11-7-4-8-12-21)29-19(27)17(24-20(23)28)13-16-9-5-3-6-10-16/h3,5-6,9-10,15,17H,4,7-8,11-13H2,1-2H3,(H3,23,24,28)/t15-,17+/m1/s1