6-[[[4-chloranyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-phenyl]-sulfamoyl-carbamoyl]amino]hexanoic acid

Systemtic Name: 6-[[[4-chloranyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-phenyl]-sulfamoyl-carbamoyl]amino]hexanoic acid Openeye Name: 6-[[[5-(tert-butoxycarbonylamino)-4-chloro-2-hydroxy-phenyl]-sulfamoyl-carbamoyl]amino]hexanoic acid CAS Name: 6-[[[4-chloro-2-hydroxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-N-sulfamoylanilino]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[[4-chloro-2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-sulfamoylcarbamoyl]amino]hexanoic acid Traditional Name: 6-[[[5-(tert-butoxycarbonylamino)-4-chloro-2-hydroxy-phenyl]-sulfamoyl-carbamoyl]amino]hexanoic acid Formula: C18H27ClN4O8S MolecularWeight: 494.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)N(C(=O)NCCCCCC(=O)O)S(=O)(=O)N)O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)N(C(=O)NCCCCCC(=O)O)S(=O)(=O)N)O)Cl

InChI

InChI=1S/C18H27ClN4O8S/c1-18(2,3)31-17(28)22-12-10-13(14(24)9-11(12)19)23(32(20,29)30)16(27)21-8-6-4-5-7-15(25)26/h9-10,24H,4-8H2,1-3H3,(H,21,27)(H,22,28)(H,25,26)(H2,20,29,30)