[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C(C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC=C(C=C1)NC(=O)CC(C)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O5/c1-15(2)13-21(28)25-19-11-9-17(10-12-19)20(27)14-31-22(29)16(3)24-23(30)26-18-7-5-4-6-8-18/h4-12,15-16H,13-14H2,1-3H3,(H,25,28)(H2,24,26,30)/t16-/m0/s1