[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-4-16-10-12-18(13-11-16)23-19(25)15(3)28-20(26)14(2)22-21(27)24-17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H,23,25)(H2,22,24,27)/t14-,15-/m0/s1