6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-[2-(hydroxymethyl)-2,3-bis(oxidanyl)propyl]-18-methyl-15-[(2-methylsulfinyl-1H-indol-3-yl)methyl]-22,23-bis(oxidanyl)-9-propan-2-yl-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)-12-[2-(hydroxymethyl)-2,3-bis(oxidanyl)propyl]-18-methyl-15-[(2-methylsulfinyl-1H-indol-3-yl)methyl]-22,23-bis(oxidanyl)-9-propan-2-yl-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-(hydroxymethyl)propyl]-22,23-dihydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-9-isopropyl-18-methyl-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-(hydroxymethyl)propyl]-22,23-dihydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-18-methyl-15-[(2-methylsulfinyl-1H-indol-3-yl)methyl]-9-propan-2-yl-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-(hydroxymethyl)propyl]-22,23-dihydroxy-6-(1-hydroxyethyl)-3-(hydroxymethyl)-18-methyl-15-[(2-methylsulfinyl-1H-indol-3-yl)methyl]-9-propan-2-yl-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-methylol-propyl)-22,23-dihydroxy-6-(1-hydroxyethyl)-9-isopropyl-18-methyl-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: C38H56N8O15S MolecularWeight: 896.96084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H56N8O15S/c1-16(2)26-33(56)45-27(18(4)50)34(57)42-24(13-47)37(59)46-12-25(51)29(52)28(46)35(58)39-17(3)30(53)40-22(10-20-19-8-6-7-9-21(19)43-36(20)62(5)61)31(54)41-23(32(55)44-26)11-38(60,14-48)15-49/h6-9,16-18,22-29,43,47-52,60H,10-15H2,1-5H3,(H,39,58)(H,40,53)(H,41,54)(H,42,57)(H,44,55)(H,45,56)