[2-(butylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-(butylamino)-2-keto-ethyl] ester Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C(C(C)C)NC(=O)NC1=CC=CC=C1

Isomeric SMILES

CCCCNC(=O)COC(=O)[C@H](C(C)C)NC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C18H27N3O4/c1-4-5-11-19-15(22)12-25-17(23)16(13(2)3)21-18(24)20-14-9-7-6-8-10-14/h6-10,13,16H,4-5,11-12H2,1-3H3,(H,19,22)(H2,20,21,24)/t16-/m0/s1