[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O[C@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C16H22N2O6S/c1-10(2)14(15(20)18-16(17)21)24-13(19)8-9-25(22,23)12-6-4-11(3)5-7-12/h4-7,10,14H,8-9H2,1-3H3,(H3,17,18,20,21)/t14-/m1/s1