[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-(2-methyl-N-methylsulfonyl-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonylanilino)acetic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-anilino)acetic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)OC(C(C)C)C(=O)NC(=O)N)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)O[C@H](C(C)C)C(=O)NC(=O)N)S(=O)(=O)C

InChI

InChI=1S/C16H23N3O6S/c1-10(2)14(15(21)18-16(17)22)25-13(20)9-19(26(4,23)24)12-8-6-5-7-11(12)3/h5-8,10,14H,9H2,1-4H3,(H3,17,18,21,22)/t14-/m1/s1