[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6S/c1-9(2)13(14(20)18-16(17)22)25-15(21)11(4)19-26(23,24)12-7-5-10(3)6-8-12/h5-9,11,13,19H,1-4H3,(H3,17,18,20,22)/t11-,13-/m0/s1