N4-[2-[2-[bis[2-[[2,3-bis(oxidanyl)-4-(propylcarbamoyl)phenyl]carbonylamino]ethyl]amino]ethyl-[2-[[2,3-bis(oxidanyl)-4-(propylcarbamoyl)phenyl]carbonylamino]ethyl]amino]ethyl]-2,3-bis(oxidanyl)-N1-propyl-benzene-1,4-dicarboxamide

Systemtic Name: N4-[2-[2-[bis[2-[[2,3-bis(oxidanyl)-4-(propylcarbamoyl)phenyl]carbonylamino]ethyl]amino]ethyl-[2-[[2,3-bis(oxidanyl)-4-(propylcarbamoyl)phenyl]carbonylamino]ethyl]amino]ethyl]-2,3-bis(oxidanyl)-N1-propyl-benzene-1,4-dicarboxamide Openeye Name: N4-[2-[2-[bis[2-[[2,3-dihydroxy-4-(propylcarbamoyl)benzoyl]amino]ethyl]amino]ethyl-[2-[[2,3-dihydroxy-4-(propylcarbamoyl)benzoyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-N1-propyl-terephthalamide CAS Name: N4-[2-[2-[bis[2-[[[2,3-dihydroxy-4-[oxo(propylamino)methyl]phenyl]-oxomethyl]amino]ethyl]amino]ethyl-[2-[[[2,3-dihydroxy-4-[oxo(propylamino)methyl]phenyl]-oxomethyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-N1-propylbenzene-1,4-dicarboxamide IUPAC Name: 4-N-[2-[2-[bis[2-[[2,3-dihydroxy-4-(propylcarbamoyl)benzoyl]amino]ethyl]amino]ethyl-[2-[[2,3-dihydroxy-4-(propylcarbamoyl)benzoyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-1-N-propylbenzene-1,4-dicarboxamide Traditional Name: N'-[2-[2-[bis[2-[[2,3-dihydroxy-4-(propylcarbamoyl)benzoyl]amino]ethyl]amino]ethyl-[2-[[2,3-dihydroxy-4-(propylcarbamoyl)benzoyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-N-propyl-terephthalamide Formula: C54H72N10O16 MolecularWeight: 1117.20688

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C(=C(C=C1)C(=O)NCCN(CCNC(=O)C2=C(C(=C(C=C2)C(=O)NCCC)O)O)CCN(CCNC(=O)C3=C(C(=C(C=C3)C(=O)NCCC)O)O)CCNC(=O)C4=C(C(=C(C=C4)C(=O)NCCC)O)O)O)O

Isomeric SMILES

CCCNC(=O)C1=C(C(=C(C=C1)C(=O)NCCN(CCNC(=O)C2=C(C(=C(C=C2)C(=O)NCCC)O)O)CCN(CCNC(=O)C3=C(C(=C(C=C3)C(=O)NCCC)O)O)CCNC(=O)C4=C(C(=C(C=C4)C(=O)NCCC)O)O)O)O

InChI

InChI=1S/C54H72N10O16/c1-5-17-55-47(73)31-9-13-35(43(69)39(31)65)51(77)59-21-25-63(26-22-60-52(78)36-14-10-32(40(66)44(36)70)48(74)56-18-6-2)29-30-64(27-23-61-53(79)37-15-11-33(41(67)45(37)71)49(75)57-19-7-3)28-24-62-54(80)38-16-12-34(42(68)46(38)72)50(76)58-20-8-4/h9-16,65-72H,5-8,17-30H2,1-4H3,(H,55,73)(H,56,74)(H,57,75)(H,58,76)(H,59,77)(H,60,78)(H,61,79)(H,62,80)