[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OC(C(C)C)C(=O)NC(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)O[C@H](C(C)C)C(=O)NC(=O)N)C

InChI

InChI=1S/C17H24N2O4S/c1-10(2)15(16(21)19-17(18)22)23-14(20)7-8-24-13-6-5-11(3)12(4)9-13/h5-6,9-10,15H,7-8H2,1-4H3,(H3,18,19,21,22)/t15-/m1/s1