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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C(CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)OC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C20H26N4O4/c1-14(17(25)24-20(13-21)10-6-3-7-11-20)28-18(26)16(23-19(22)27)12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-12H2,1H3,(H,24,25)(H3,22,23,27)/t14-,16+/m1/s1