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

Systemtic Name: methyl 2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-4-methyl-pentanoate CAS Name: 2-[[3-[(4-bromophenyl)sulfonylamino]-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-4-methylpentanoate Traditional Name: 2-[3-(brosylamino)propanoylamino]-4-methyl-valeric acid methyl ester Formula: C16H23BrN2O5S MolecularWeight: 435.33322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN2O5S/c1-11(2)10-14(16(21)24-3)19-15(20)8-9-18-25(22,23)13-6-4-12(17)5-7-13/h4-7,11,14,18H,8-10H2,1-3H3,(H,19,20)