[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyric acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H31N3O7S MolecularWeight: 457.54104

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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)NS(=O)(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O7S/c1-12(2)16(23-31(27,28)15-10-8-14(29-7)9-11-15)18(25)30-13(3)17(24)21-19(26)22-20(4,5)6/h8-13,16,23H,1-7H3,(H2,21,22,24,26)/t13?,16-/m0/s1