5-[2-azanylethanoyl-[4-[[4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]phenyl]carbonylamino]phenyl]carbonyl-amino]-2,4,6-tris(bromanyl)benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-azanylethanoyl-[4-[[4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]phenyl]carbonylamino]phenyl]carbonyl-amino]-2,4,6-tris(bromanyl)benzene-1,3-dicarboxamide Openeye Name: 5-[(2-aminoacetyl)-[4-[[4-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]benzoyl]amino]benzoyl]amino]-2,4,6-tribromo-benzene-1,3-dicarboxamide CAS Name: 5-[(2-amino-1-oxoethyl)-[[4-[[[4-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]-2,4,6-tribromobenzene-1,3-dicarboxamide IUPAC Name: 5-[(2-aminoacetyl)-[4-[[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoyl]amino]benzoyl]amino]-2,4,6-tribromobenzene-1,3-dicarboxamide Traditional Name: 2,4,6-tribromo-5-[glycyl-[4-[[4-[(2-phthalimidoacetyl)amino]benzoyl]amino]benzoyl]amino]isophthalamide Formula: C34H24Br3N7O8 MolecularWeight: 898.30846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)N(C5=C(C(=C(C(=C5Br)C(=O)N)Br)C(=O)N)Br)C(=O)CN

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)N(C5=C(C(=C(C(=C5Br)C(=O)N)Br)C(=O)N)Br)C(=O)CN

InChI

InChI=1S/C34H24Br3N7O8/c35-25-23(29(39)47)26(36)28(27(37)24(25)30(40)48)44(22(46)13-38)32(50)16-7-11-18(12-8-16)42-31(49)15-5-9-17(10-6-15)41-21(45)14-43-33(51)19-3-1-2-4-20(19)34(43)52/h1-12H,13-14,38H2,(H2,39,47)(H2,40,48)(H,41,45)(H,42,49)