[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C(C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)[C@H](C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O4/c1-4-16-10-9-11-17(5-2)20(16)25-19(26)14-29-21(27)15(3)23-22(28)24-18-12-7-6-8-13-18/h6-13,15H,4-5,14H2,1-3H3,(H,25,26)(H2,23,24,28)/t15-/m0/s1