[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S,3S)-2-benzamido-3-methyl-pentanoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S,3S)-2-benzamido-3-methyl-pentanoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S,3S)-2-benzamido-3-methyl-pentanoate CAS Name: (2S,3S)-2-benzamido-3-methylpentanoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (2S,3S)-2-benzamido-3-methylpentanoate Traditional Name: (2S,3S)-2-benzamido-3-methyl-valeric acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)NC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5/c1-7-13(2)16(22-18(26)15-11-9-8-10-12-15)19(27)29-14(3)17(25)23-20(28)24-21(4,5)6/h8-14,16H,7H2,1-6H3,(H,22,26)(H2,23,24,25,28)/t13-,14+,16-/m0/s1