2-[(E)-[[5-[3-[2-[2-[3-[[1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-indol-2-yl]carbonylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid

Systemtic Name: 2-[(E)-[[5-[3-[2-[2-[3-[[1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-indol-2-yl]carbonylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid Openeye Name: 2-[(E)-[[5-[3-[2-[2-[3-[[5-benzyloxy-1-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]indole-2-carbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-2-pyridyl]hydrazono]methyl]benzenesulfonic acid CAS Name: 2-[(E)-[[5-[[3-[2-[2-[3-[[[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxy-2-indolyl]-oxomethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-oxomethyl]-2-pyridinyl]hydrazinylidene]methyl]benzenesulfonic acid IUPAC Name: 2-[(E)-[[5-[3-[2-[2-[3-[[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-2-carbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid Traditional Name: 2-[(E)-[[5-[3-[2-[2-[3-[[5-benzoxy-1-[2-keto-2-[methyl(phenethyl)amino]ethyl]indole-2-carbonyl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-2-pyridyl]hydrazono]methyl]besylic acid Formula: C50H57N7O10S MolecularWeight: 948.09348

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)NCCCOCCOCCOCCCNC(=O)C5=CN=C(C=C5)NN=CC6=CC=CC=C6S(=O)(=O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)CN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)NCCCOCCOCCOCCCNC(=O)C5=CN=C(C=C5)N/N=C/C6=CC=CC=C6S(=O)(=O)O

InChI

InChI=1S/C50H57N7O10S/c1-56(25-22-38-12-4-2-5-13-38)48(58)36-57-44-20-19-43(67-37-39-14-6-3-7-15-39)32-42(44)33-45(57)50(60)52-24-11-27-65-29-31-66-30-28-64-26-10-23-51-49(59)41-18-21-47(53-34-41)55-54-35-40-16-8-9-17-46(40)68(61,62)63/h2-9,12-21,32-35H,10-11,22-31,36-37H2,1H3,(H,51,59)(H,52,60)(H,53,55)(H,61,62,63)/b54-35+