tert-butyl (2S)-2-azanyl-6-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]hexanoate

Systemtic Name: tert-butyl (2S)-2-azanyl-6-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]hexanoate Openeye Name: tert-butyl (2S)-2-amino-6-[(4-chloro-3-sulfamoyl-benzoyl)amino]hexanoate CAS Name: (2S)-2-amino-6-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-amino-6-[(4-chloro-3-sulfamoylbenzoyl)amino]hexanoate Traditional Name: (2S)-2-amino-6-[(4-chloro-3-sulfamoyl-benzoyl)amino]hexanoic acid tert-butyl ester Formula: C17H26ClN3O5S MolecularWeight: 419.92344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N)N

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N)N

InChI

InChI=1S/C17H26ClN3O5S/c1-17(2,3)26-16(23)13(19)6-4-5-9-21-15(22)11-7-8-12(18)14(10-11)27(20,24)25/h7-8,10,13H,4-6,9,19H2,1-3H3,(H,21,22)(H2,20,24,25)/t13-/m0/s1