6-[(3-azanyl-6-chloranyl-2-oxidanyl-phenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Systemtic Name: 6-[(3-azanyl-6-chloranyl-2-oxidanyl-phenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Openeye Name: 6-[(3-amino-6-chloro-2-hydroxy-phenyl)sulfonylamino]-2-(tert-butoxycarbonylamino)hexanoic acid CAS Name: 6-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(3-amino-6-chloro-2-hydroxyphenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Traditional Name: 6-[(3-amino-6-chloro-2-hydroxy-phenyl)sulfonylamino]-2-(tert-butoxycarbonylamino)hexanoic acid Formula: C17H26ClN3O7S MolecularWeight: 451.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNS(=O)(=O)C1=C(C=CC(=C1O)N)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCNS(=O)(=O)C1=C(C=CC(=C1O)N)Cl)C(=O)O

InChI

InChI=1S/C17H26ClN3O7S/c1-17(2,3)28-16(25)21-12(15(23)24)6-4-5-9-20-29(26,27)14-10(18)7-8-11(19)13(14)22/h7-8,12,20,22H,4-6,9,19H2,1-3H3,(H,21,25)(H,23,24)