6-(1-hydroxyethyl)-3-(hydroxymethyl)-9,18-dimethyl-12-[2-methyl-2,3-bis(oxidanyl)propyl]-15-[(2-methylsulfinyl-1H-indol-3-yl)methyl]-22,23-bis(oxidanyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone

Systemtic Name: 6-(1-hydroxyethyl)-3-(hydroxymethyl)-9,18-dimethyl-12-[2-methyl-2,3-bis(oxidanyl)propyl]-15-[(2-methylsulfinyl-1H-indol-3-yl)methyl]-22,23-bis(oxidanyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone Openeye Name: 12-(2,3-dihydroxy-2-methyl-propyl)-22,23-dihydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-9,18-dimethyl-15-[(2-methylsulfinyl-1H-indol-3-yl)methyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone CAS Name: 12-(2,3-dihydroxy-2-methylpropyl)-22,23-dihydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-9,18-dimethyl-15-[(2-methylsulfinyl-1H-indol-3-yl)methyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone IUPAC Name: 12-(2,3-dihydroxy-2-methylpropyl)-22,23-dihydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-9,18-dimethyl-15-[(2-methylsulfinyl-1H-indol-3-yl)methyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone Traditional Name: 12-(2,3-dihydroxy-2-methyl-propyl)-22,23-dihydroxy-6-(1-hydroxyethyl)-9,18-dimethyl-3-methylol-15-[(2-methylsulfinyl-1H-indol-3-yl)methyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone Formula: C36H52N8O14S MolecularWeight: 852.90828

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)NC(C(=O)N2CC(C(C2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)(CO)O)CC3=C(NC4=CC=CC=C43)S(=O)C)C)O)O)CO)C(C)O

Isomeric SMILES

CC1C(=O)NC(C(=O)NC(C(=O)N2CC(C(C2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)(CO)O)CC3=C(NC4=CC=CC=C43)S(=O)C)C)O)O)CO)C(C)O

InChI

InChI=1S/C36H52N8O14S/c1-15-28(50)39-21(10-19-18-8-6-7-9-20(18)42-34(19)59(5)58)30(52)40-22(11-36(4,57)14-46)31(53)37-16(2)29(51)43-25(17(3)47)32(54)41-23(13-45)35(56)44-12-24(48)27(49)26(44)33(55)38-15/h6-9,15-17,21-27,42,45-49,57H,10-14H2,1-5H3,(H,37,53)(H,38,55)(H,39,50)(H,40,52)(H,41,54)(H,43,51)