methyl 4-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]amino]butanoate

Systemtic Name: methyl 4-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]amino]butanoate Openeye Name: methyl 4-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]amino]butanoate CAS Name: 4-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-1-oxobutyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-(brosylamino)-3-methyl-butanoyl]amino]butyric acid methyl ester Formula: C16H23BrN2O5S MolecularWeight: 435.33322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCCC(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCCC(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C16H23BrN2O5S/c1-11(2)15(16(21)18-10-4-5-14(20)24-3)19-25(22,23)13-8-6-12(17)7-9-13/h6-9,11,15,19H,4-5,10H2,1-3H3,(H,18,21)/t15-/m0/s1