2,3,4-tris(oxidanyl)-N-[3-[[2,3,4-tris(oxidanyl)phenyl]carbonyl-[4-[[2,3,4-tris(oxidanyl)phenyl]carbonyl-[3-[[2,3,4-tris(oxidanyl)phenyl]carbonylamino]propyl]amino]butyl]amino]propyl]benzamide

Systemtic Name: 2,3,4-tris(oxidanyl)-N-[3-[[2,3,4-tris(oxidanyl)phenyl]carbonyl-[4-[[2,3,4-tris(oxidanyl)phenyl]carbonyl-[3-[[2,3,4-tris(oxidanyl)phenyl]carbonylamino]propyl]amino]butyl]amino]propyl]benzamide Openeye Name: 2,3,4-trihydroxy-N-[3-[(2,3,4-trihydroxybenzoyl)-[4-[(2,3,4-trihydroxybenzoyl)-[3-[(2,3,4-trihydroxybenzoyl)amino]propyl]amino]butyl]amino]propyl]benzamide CAS Name: 2,3,4-trihydroxy-N-[3-[[oxo-(2,3,4-trihydroxyphenyl)methyl]-[4-[[oxo-(2,3,4-trihydroxyphenyl)methyl]-[3-[[oxo-(2,3,4-trihydroxyphenyl)methyl]amino]propyl]amino]butyl]amino]propyl]benzamide IUPAC Name: 2,3,4-trihydroxy-N-[3-[(2,3,4-trihydroxybenzoyl)-[4-[(2,3,4-trihydroxybenzoyl)-[3-[(2,3,4-trihydroxybenzoyl)amino]propyl]amino]butyl]amino]propyl]benzamide Traditional Name: 2,3,4-trihydroxy-N-[3-[(2,3,4-trihydroxybenzoyl)-[4-[(2,3,4-trihydroxybenzoyl)-[3-[(2,3,4-trihydroxybenzoyl)amino]propyl]amino]butyl]amino]propyl]benzamide Formula: C38H42N4O16 MolecularWeight: 810.75728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)NCCCN(CCCCN(CCCNC(=O)C2=C(C(=C(C=C2)O)O)O)C(=O)C3=C(C(=C(C=C3)O)O)O)C(=O)C4=C(C(=C(C=C4)O)O)O)O)O)O

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)NCCCN(CCCCN(CCCNC(=O)C2=C(C(=C(C=C2)O)O)O)C(=O)C3=C(C(=C(C=C3)O)O)O)C(=O)C4=C(C(=C(C=C4)O)O)O)O)O)O

InChI

InChI=1S/C38H42N4O16/c43-23-9-5-19(27(47)31(23)51)35(55)39-13-3-17-41(37(57)21-7-11-25(45)33(53)29(21)49)15-1-2-16-42(38(58)22-8-12-26(46)34(54)30(22)50)18-4-14-40-36(56)20-6-10-24(44)32(52)28(20)48/h5-12,43-54H,1-4,13-18H2,(H,39,55)(H,40,56)