3-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]phenyl]propanoic acid

Systemtic Name: 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]phenyl]propanoic acid Openeye Name: 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]phenyl]propanoic acid CAS Name: 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]propanoic acid Traditional Name: 3-[4-[[2-(brosylamino)-4-(methylthio)butanoyl]amino]phenyl]propionic acid Formula: C20H23BrN2O5S2 MolecularWeight: 515.44102

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)CCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CSCCC(C(=O)NC1=CC=C(C=C1)CCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H23BrN2O5S2/c1-29-13-12-18(23-30(27,28)17-9-5-15(21)6-10-17)20(26)22-16-7-2-14(3-8-16)4-11-19(24)25/h2-3,5-10,18,23H,4,11-13H2,1H3,(H,22,26)(H,24,25)