[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H31N3O7 MolecularWeight: 437.48674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O7/c1-12(2)17(19(27)31-11-16(25)22-20(28)24-21(3,4)5)23-18(26)13-8-14(29-6)10-15(9-13)30-7/h8-10,12,17H,11H2,1-7H3,(H,23,26)(H2,22,24,25,28)/t17-/m0/s1