(2S)-2-[[2-methyl-4-[(4-methylphenyl)sulfonylamino]butanoyl]oxyamino]-4-phenyl-butanoic acid

Systemtic Name: (2S)-2-[[2-methyl-4-[(4-methylphenyl)sulfonylamino]butanoyl]oxyamino]-4-phenyl-butanoic acid Openeye Name: (2S)-2-[[2-methyl-4-(p-tolylsulfonylamino)butanoyl]oxyamino]-4-phenyl-butanoic acid CAS Name: (2S)-2-[[2-methyl-4-[(4-methylphenyl)sulfonylamino]-1-oxobutoxy]amino]-4-phenylbutanoic acid IUPAC Name: (2S)-2-[[2-methyl-4-[(4-methylphenyl)sulfonylamino]butanoyl]oxyamino]-4-phenylbutanoic acid Traditional Name: (2S)-2-[[2-methyl-4-(tosylamino)butanoyl]oxyamino]-4-phenyl-butyric acid Formula: C22H28N2O6S MolecularWeight: 448.53252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C)C(=O)ONC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C)C(=O)ON[C@@H](CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H28N2O6S/c1-16-8-11-19(12-9-16)31(28,29)23-15-14-17(2)22(27)30-24-20(21(25)26)13-10-18-6-4-3-5-7-18/h3-9,11-12,17,20,23-24H,10,13-15H2,1-2H3,(H,25,26)/t17?,20-/m0/s1