methyl 6-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]amino]hexanoate

Systemtic Name: methyl 6-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]amino]hexanoate Openeye Name: methyl 6-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]amino]hexanoate CAS Name: 6-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-1-oxobutyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoyl]amino]hexanoate Traditional Name: 6-[[(2S)-2-(brosylamino)-3-methyl-butanoyl]amino]hexanoic acid methyl ester Formula: C18H27BrN2O5S MolecularWeight: 463.38638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrN2O5S/c1-13(2)17(18(23)20-12-6-4-5-7-16(22)26-3)21-27(24,25)15-10-8-14(19)9-11-15/h8-11,13,17,21H,4-7,12H2,1-3H3,(H,20,23)/t17-/m0/s1