(2S)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide

Systemtic Name: (2S)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide Openeye Name: (2S)-N-[2-(2-ethylanilino)-2-oxo-ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbutanamide IUPAC Name: (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide Traditional Name: (2S)-N-[2-(2-ethylanilino)-2-keto-ethyl]-3-methyl-2-(phenylcarbamoylamino)butyramide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H28N4O3/c1-4-16-10-8-9-13-18(16)25-19(27)14-23-21(28)20(15(2)3)26-22(29)24-17-11-6-5-7-12-17/h5-13,15,20H,4,14H2,1-3H3,(H,23,28)(H,25,27)(H2,24,26,29)/t20-/m0/s1