N'-[[3-(5-bromanylbenzotriazol-2-yl)-5-ethyl-2-oxidanyl-phenyl]methyl]-N-[4-[[2-[[3-(5-bromanylbenzotriazol-2-yl)-5-ethyl-2-oxidanyl-phenyl]methylamino]-2-oxidanylidene-ethanoyl]amino]butyl]ethanediamide

Systemtic Name: N'-[[3-(5-bromanylbenzotriazol-2-yl)-5-ethyl-2-oxidanyl-phenyl]methyl]-N-[4-[[2-[[3-(5-bromanylbenzotriazol-2-yl)-5-ethyl-2-oxidanyl-phenyl]methylamino]-2-oxidanylidene-ethanoyl]amino]butyl]ethanediamide Openeye Name: N'-[[3-(5-bromobenzotriazol-2-yl)-5-ethyl-2-hydroxy-phenyl]methyl]-N-[4-[[2-[[3-(5-bromobenzotriazol-2-yl)-5-ethyl-2-hydroxy-phenyl]methylamino]-2-oxo-acetyl]amino]butyl]oxamide CAS Name: N'-[[3-(5-bromo-2-benzotriazolyl)-5-ethyl-2-hydroxyphenyl]methyl]-N-[4-[[2-[[3-(5-bromo-2-benzotriazolyl)-5-ethyl-2-hydroxyphenyl]methylamino]-1,2-dioxoethyl]amino]butyl]oxamide IUPAC Name: N'-[[3-(5-bromobenzotriazol-2-yl)-5-ethyl-2-hydroxyphenyl]methyl]-N-[4-[[2-[[3-(5-bromobenzotriazol-2-yl)-5-ethyl-2-hydroxyphenyl]methylamino]-2-oxoacetyl]amino]butyl]oxamide Traditional Name: N'-[3-(5-bromobenzotriazol-2-yl)-5-ethyl-2-hydroxy-benzyl]-N-[4-[[2-[[3-(5-bromobenzotriazol-2-yl)-5-ethyl-2-hydroxy-benzyl]amino]-2-keto-acetyl]amino]butyl]oxamide Formula: C38H38Br2N10O6 MolecularWeight: 890.57972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Br)O)CNC(=O)C(=O)NCCCCNC(=O)C(=O)NCC4=C(C(=CC(=C4)CC)N5N=C6C=CC(=CC6=N5)Br)O

Isomeric SMILES

CCC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Br)O)CNC(=O)C(=O)NCCCCNC(=O)C(=O)NCC4=C(C(=CC(=C4)CC)N5N=C6C=CC(=CC6=N5)Br)O

InChI

InChI=1S/C38H38Br2N10O6/c1-3-21-13-23(33(51)31(15-21)49-45-27-9-7-25(39)17-29(27)47-49)19-43-37(55)35(53)41-11-5-6-12-42-36(54)38(56)44-20-24-14-22(4-2)16-32(34(24)52)50-46-28-10-8-26(40)18-30(28)48-50/h7-10,13-18,51-52H,3-6,11-12,19-20H2,1-2H3,(H,41,53)(H,42,54)(H,43,55)(H,44,56)