N4-[2-[[2-[bis[2-[[2,3-dimethoxy-4-(methylcarbamoyl)phenyl]carbonylamino]ethyl]amino]-2-oxidanylidene-ethanoyl]-[2-[[2,3-dimethoxy-4-(methylcarbamoyl)phenyl]carbonylamino]ethyl]amino]ethyl]-2,3-dimethoxy-N1-methyl-benzene-1,4-dicarboxamide

Systemtic Name: N4-[2-[[2-[bis[2-[[2,3-dimethoxy-4-(methylcarbamoyl)phenyl]carbonylamino]ethyl]amino]-2-oxidanylidene-ethanoyl]-[2-[[2,3-dimethoxy-4-(methylcarbamoyl)phenyl]carbonylamino]ethyl]amino]ethyl]-2,3-dimethoxy-N1-methyl-benzene-1,4-dicarboxamide Openeye Name: N4-[2-[[2-[bis[2-[[2,3-dimethoxy-4-(methylcarbamoyl)benzoyl]amino]ethyl]amino]-2-oxo-acetyl]-[2-[[2,3-dimethoxy-4-(methylcarbamoyl)benzoyl]amino]ethyl]amino]ethyl]-2,3-dimethoxy-N1-methyl-terephthalamide CAS Name: N4-[2-[[2-[bis[2-[[[2,3-dimethoxy-4-(methylcarbamoyl)phenyl]-oxomethyl]amino]ethyl]amino]-1,2-dioxoethyl]-[2-[[[2,3-dimethoxy-4-(methylcarbamoyl)phenyl]-oxomethyl]amino]ethyl]amino]ethyl]-2,3-dimethoxy-N1-methylbenzene-1,4-dicarboxamide IUPAC Name: 4-N-[2-[[2-[bis[2-[[2,3-dimethoxy-4-(methylcarbamoyl)benzoyl]amino]ethyl]amino]-2-oxoacetyl]-[2-[[2,3-dimethoxy-4-(methylcarbamoyl)benzoyl]amino]ethyl]amino]ethyl]-2,3-dimethoxy-1-N-methylbenzene-1,4-dicarboxamide Traditional Name: N'-[2-[[2-[bis[2-[[2,3-dimethoxy-4-(methylcarbamoyl)benzoyl]amino]ethyl]amino]-2-keto-acetyl]-[2-[[2,3-dimethoxy-4-(methylcarbamoyl)benzoyl]amino]ethyl]amino]ethyl]-2,3-dimethoxy-N-methyl-terephthalamide Formula: C54H68N10O18 MolecularWeight: 1145.17392

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C(=C(C=C1)C(=O)NCCN(CCNC(=O)C2=C(C(=C(C=C2)C(=O)NC)OC)OC)C(=O)C(=O)N(CCNC(=O)C3=C(C(=C(C=C3)C(=O)NC)OC)OC)CCNC(=O)C4=C(C(=C(C=C4)C(=O)NC)OC)OC)OC)OC

Isomeric SMILES

CNC(=O)C1=C(C(=C(C=C1)C(=O)NCCN(CCNC(=O)C2=C(C(=C(C=C2)C(=O)NC)OC)OC)C(=O)C(=O)N(CCNC(=O)C3=C(C(=C(C=C3)C(=O)NC)OC)OC)CCNC(=O)C4=C(C(=C(C=C4)C(=O)NC)OC)OC)OC)OC

InChI

InChI=1S/C54H68N10O18/c1-55-45(65)29-13-17-33(41(79-9)37(29)75-5)49(69)59-21-25-63(26-22-60-50(70)34-18-14-30(46(66)56-2)38(76-6)42(34)80-10)53(73)54(74)64(27-23-61-51(71)35-19-15-31(47(67)57-3)39(77-7)43(35)81-11)28-24-62-52(72)36-20-16-32(48(68)58-4)40(78-8)44(36)82-12/h13-20H,21-28H2,1-12H3,(H,55,65)(H,56,66)(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,61,71)(H,62,72)