[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(o-anisoylamino)butyric acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)NC(=O)C1=CC=CC=C1OC

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)[C@H](C(C)C)NC(=O)C1=CC=CC=C1OC

InChI

InChI=1S/C21H31N3O6/c1-12(2)16(22-18(26)14-10-8-9-11-15(14)29-7)19(27)30-13(3)17(25)23-20(28)24-21(4,5)6/h8-13,16H,1-7H3,(H,22,26)(H2,23,24,25,28)/t13-,16+/m1/s1