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

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(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] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(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)NCCC(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6S/c1-10(2)14(15(21)19-16(17)22)25-13(20)8-9-18-26(23,24)12-6-4-11(3)5-7-12/h4-7,10,14,18H,8-9H2,1-3H3,(H3,17,19,21,22)/t14-/m0/s1