[(2R)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 3-(phenylcarbamoylamino)propanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 3-(phenylcarbamoylamino)propanoate Openeye Name: [(1R)-2-(2-isopropylanilino)-1-methyl-2-oxo-ethyl] 3-(phenylcarbamoylamino)propanoate CAS Name: 3-[[anilino(oxo)methyl]amino]propanoic acid [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 3-(phenylcarbamoylamino)propanoate Traditional Name: 3-(phenylcarbamoylamino)propionic acid [(1R)-2-(2-isopropylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)CCNC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C(C)C)OC(=O)CCNC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O4/c1-15(2)18-11-7-8-12-19(18)25-21(27)16(3)29-20(26)13-14-23-22(28)24-17-9-5-4-6-10-17/h4-12,15-16H,13-14H2,1-3H3,(H,25,27)(H2,23,24,28)/t16-/m1/s1