methyl (2S)-6-azanyl-2-[[(4-bromophenyl)sulfonylamino]-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate

Systemtic Name: methyl (2S)-6-azanyl-2-[[(4-bromophenyl)sulfonylamino]-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate Openeye Name: methyl (2S)-6-amino-2-[[(4-bromophenyl)sulfonylamino]-tert-butoxycarbonyl-amino]hexanoate CAS Name: (2S)-6-amino-2-[[(4-bromophenyl)sulfonylamino]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-amino-2-[[(4-bromophenyl)sulfonylamino]-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate Traditional Name: (2S)-6-amino-2-[(brosylamino)-tert-butoxycarbonyl-amino]hexanoic acid methyl ester Formula: C18H28BrN3O6S MolecularWeight: 494.40042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CCCCN)C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H28BrN3O6S/c1-18(2,3)28-17(24)22(15(16(23)27-4)7-5-6-12-20)21-29(25,26)14-10-8-13(19)9-11-14/h8-11,15,21H,5-7,12,20H2,1-4H3/t15-/m0/s1