(1S,5S)-N-[3-[4-(2-azanylethyl)-2,6-bis(bromanyl)phenoxy]propyl]-8,10-bis(bromanyl)-9-methoxy-1-oxidanyl-4,11-dioxa-3-azaspiro[4.6]undeca-2,7,9-triene-2-carboxamide

Systemtic Name: (1S,5S)-N-[3-[4-(2-azanylethyl)-2,6-bis(bromanyl)phenoxy]propyl]-8,10-bis(bromanyl)-9-methoxy-1-oxidanyl-4,11-dioxa-3-azaspiro[4.6]undeca-2,7,9-triene-2-carboxamide Openeye Name: (1S,5S)-N-[3-[4-(2-aminoethyl)-2,6-dibromo-phenoxy]propyl]-8,10-dibromo-1-hydroxy-9-methoxy-4,11-dioxa-3-azaspiro[4.6]undeca-2,7,9-triene-2-carboxamide CAS Name: (1S,5S)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-8,10-dibromo-1-hydroxy-9-methoxy-4,11-dioxa-3-azaspiro[4.6]undeca-2,7,9-triene-2-carboxamide IUPAC Name: (1S,5S)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-8,10-dibromo-1-hydroxy-9-methoxy-4,11-dioxa-3-azaspiro[4.6]undeca-2,7,9-triene-2-carboxamide Traditional Name: (1S,5S)-N-[3-[4-(2-aminoethyl)-2,6-dibromo-phenoxy]propyl]-8,10-dibromo-1-hydroxy-9-methoxy-4,11-dioxa-3-azaspiro[4.6]undeca-2,7,9-triene-2-carboxamide Formula: C21H23Br4N3O6 MolecularWeight: 733.03982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(OC2(CC=C1Br)C(C(=NO2)C(=O)NCCCOC3=C(C=C(C=C3Br)CCN)Br)O)Br

Isomeric SMILES

COC1=C(O[C@]2(CC=C1Br)[C@H](C(=NO2)C(=O)NCCCOC3=C(C=C(C=C3Br)CCN)Br)O)Br

InChI

InChI=1S/C21H23Br4N3O6/c1-31-17-12(22)3-5-21(33-19(17)25)18(29)15(28-34-21)20(30)27-7-2-8-32-16-13(23)9-11(4-6-26)10-14(16)24/h3,9-10,18,29H,2,4-8,26H2,1H3,(H,27,30)/t18-,21-/m0/s1