[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H29N3O4 MolecularWeight: 363.45126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C(C(C)C)NC(=O)NC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)[C@H](C(C)C)NC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C19H29N3O4/c1-12(2)11-20-17(23)14(5)26-18(24)16(13(3)4)22-19(25)21-15-9-7-6-8-10-15/h6-10,12-14,16H,11H2,1-5H3,(H,20,23)(H2,21,22,25)/t14-,16-/m0/s1