2-[(E)-[[5-[[6-[[2-[[6-(4,6-diphenylpyridin-2-yl)oxy-2,2-dimethyl-hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-1-oxidanylidene-1-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]hexan-2-yl]carbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid

Systemtic Name: 2-[(E)-[[5-[[6-[[2-[[6-(4,6-diphenylpyridin-2-yl)oxy-2,2-dimethyl-hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-1-oxidanylidene-1-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]hexan-2-yl]carbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid Openeye Name: 2-[(E)-[[5-[[5-[[2-[[6-[(4,6-diphenyl-2-pyridyl)oxy]-2,2-dimethyl-hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-1-(2,3,4,5,6-pentahydroxyhexylcarbamoyl)pentyl]carbamoyl]-2-pyridyl]hydrazono]methyl]benzenesulfonic acid CAS Name: 2-[(E)-[[5-[[[6-[[2-[[6-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyl-1-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxo-1-(2,3,4,5,6-pentahydroxyhexylamino)hexan-2-yl]amino]-oxomethyl]-2-pyridinyl]hydrazinylidene]methyl]benzenesulfonic acid IUPAC Name: 2-[(E)-[[5-[[6-[[2-[[6-(4,6-diphenylpyridin-2-yl)oxy-2,2-dimethylhexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-1-oxo-1-(2,3,4,5,6-pentahydroxyhexylamino)hexan-2-yl]carbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid Traditional Name: 2-[(E)-[[5-[[5-[[2-[[6-[(4,6-diphenyl-2-pyridyl)oxy]-2,2-dimethyl-hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-1-(2,3,4,5,6-pentahydroxyhexylcarbamoyl)pentyl]carbamoyl]-2-pyridyl]hydrazono]methyl]besylic acid Formula: C59H70N8O14S MolecularWeight: 1147.2973

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NCCCCC(C(=O)NCC(C(C(C(CO)O)O)O)O)NC(=O)C5=CN=C(C=C5)NN=CC6=CC=CC=C6S(=O)(=O)O

Isomeric SMILES

CC(C)(CCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NCCCCC(C(=O)NCC(C(C(C(CO)O)O)O)O)NC(=O)C5=CN=C(C=C5)N/N=C/C6=CC=CC=C6S(=O)(=O)O

InChI

InChI=1S/C59H70N8O14S/c1-59(2,28-12-14-30-81-52-33-43(39-15-5-3-6-16-39)32-46(64-52)40-17-7-4-8-18-40)58(77)66-47(31-38-22-25-44(69)26-23-38)57(76)60-29-13-11-20-45(56(75)62-36-48(70)53(72)54(73)49(71)37-68)65-55(74)42-24-27-51(61-34-42)67-63-35-41-19-9-10-21-50(41)82(78,79)80/h3-10,15-19,21-27,32-35,45,47-49,53-54,68-73H,11-14,20,28-31,36-37H2,1-2H3,(H,60,76)(H,61,67)(H,62,75)(H,65,74)(H,66,77)(H,78,79,80)/b63-35+