(phenylmethyl) 3-[[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoate

Systemtic Name: (phenylmethyl) 3-[[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoate Openeye Name: benzyl 3-[[(1S)-2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamoyl]benzoate CAS Name: 3-[[[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]amino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]benzoate Traditional Name: 3-[[(1S)-2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-keto-ethyl]carbamoyl]benzoic acid benzyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC#N)NC(=O)C2=CC(=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)NCC#N)NC(=O)C2=CC(=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O4/c27-14-15-28-25(31)23(16-19-8-3-1-4-9-19)29-24(30)21-12-7-13-22(17-21)26(32)33-18-20-10-5-2-6-11-20/h2,5-7,10-13,17,19,23H,1,3-4,8-9,15-16,18H2,(H,28,31)(H,29,30)/t23-/m0/s1