methyl (2S)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]propanoate

Systemtic Name: methyl (2S)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]propanoate Openeye Name: methyl (2S)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]propanoate CAS Name: (2S)-2-[[3-[(4-bromophenyl)sulfonylamino]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]propanoate Traditional Name: (2S)-2-[3-(brosylamino)propanoylamino]propionic acid methyl ester Formula: C13H17BrN2O5S MolecularWeight: 393.25348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H17BrN2O5S/c1-9(13(18)21-2)16-12(17)7-8-15-22(19,20)11-5-3-10(14)4-6-11/h3-6,9,15H,7-8H2,1-2H3,(H,16,17)/t9-/m0/s1