[(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [(1S)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [(2S)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [(1S)-2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C22H22N4O4/c1-16(20(27)25-22(29)23-14-17-6-3-2-4-7-17)30-21(28)19-10-8-18(9-11-19)15-26-13-5-12-24-26/h2-13,16H,14-15H2,1H3,(H2,23,25,27,29)/t16-/m0/s1