7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-[2-[6-[2-[4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl]sulfanylhexylsulfanyl]ethanoyl]-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: 7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-[2-[6-[2-[4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl]sulfanylhexylsulfanyl]ethanoyl]-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: 7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-9-[2-[6-[2-[4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl]sulfanylhexylsulfanyl]acetyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: 7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-9-[2-[6-[[2-[4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl]thio]hexylthio]-1-oxoethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-[2-[6-[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl]sulfanylhexylsulfanyl]acetyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: 7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-9-[2-[6-[[2-[4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-6,11-diketo-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]-2-keto-ethyl]thio]hexylthio]acetyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C60H68N2O20S2 MolecularWeight: 1201.31332

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CSCCCCCCSCC(=O)C6(CC(C7=C(C8=C(C(=C7C6)O)C(=O)C9=C(C8=O)C(=CC=C9)OC)O)OC1CC(C(C(O1)C)O)N)O)O)N)O

Isomeric SMILES

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CSCCCCCCSCC(=O)C6(CC(C7=C(C8=C(C(=C7C6)O)C(=O)C9=C(C8=O)C(=CC=C9)OC)O)OC1CC(C(C(O1)C)O)N)O)O)N)O

InChI

InChI=1S/C60H68N2O20S2/c1-25-49(65)31(61)17-39(79-25)81-35-21-59(75,19-29-43(35)57(73)47-45(53(29)69)51(67)27-11-9-13-33(77-3)41(27)55(47)71)37(63)23-83-15-7-5-6-8-16-84-24-38(64)60(76)20-30-44(36(22-60)82-40-18-32(62)50(66)26(2)80-40)58(74)48-46(54(30)70)52(68)28-12-10-14-34(78-4)42(28)56(48)72/h9-14,25-26,31-32,35-36,39-40,49-50,65-66,69-70,73-76H,5-8,15-24,61-62H2,1-4H3