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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-(3-chloro-N-methylsulfonyl-anilino)acetate CAS Name: 2-(3-chloro-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-(3-chloro-N-methylsulfonylanilino)acetate Traditional Name: 2-(3-chloro-N-mesyl-anilino)acetic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C15H20ClN3O6S MolecularWeight: 405.8538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C

InChI

InChI=1S/C15H20ClN3O6S/c1-9(2)13(14(21)18-15(17)22)25-12(20)8-19(26(3,23)24)11-6-4-5-10(16)7-11/h4-7,9,13H,8H2,1-3H3,(H3,17,18,21,22)/t13-/m1/s1