[(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propanoic acid [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propionic acid [(1S)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C15H21N3O6S MolecularWeight: 371.40874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)NC(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O6S/c1-9-4-5-12(8-10(9)2)25(22,23)17-7-6-13(19)24-11(3)14(20)18-15(16)21/h4-5,8,11,17H,6-7H2,1-3H3,(H3,16,18,20,21)/t11-/m0/s1