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

Systemtic Name: 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanyl-butanoyl]amino]phenyl]propanoic acid Openeye Name: 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanyl-butanoyl]amino]phenyl]propanoic acid CAS Name: 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-(ethylthio)-1-oxobutyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanylbutanoyl]amino]phenyl]propanoic acid Traditional Name: 3-[4-[[2-(brosylamino)-4-(ethylthio)butanoyl]amino]phenyl]propionic acid Formula: C21H25BrN2O5S2 MolecularWeight: 529.4676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O5S2/c1-2-30-14-13-19(24-31(28,29)18-10-6-16(22)7-11-18)21(27)23-17-8-3-15(4-9-17)5-12-20(25)26/h3-4,6-11,19,24H,2,5,12-14H2,1H3,(H,23,27)(H,25,26)