7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-[(E)-N-[(E)-1-[4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-2,5,7,12-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]-C-methyl-carbonimidoyl]-4,6,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: 7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-[(E)-N-[(E)-1-[4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-2,5,7,12-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]-C-methyl-carbonimidoyl]-4,6,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: 7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-9-[(E)-N-[(E)-1-[4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]-C-methyl-carbonimidoyl]-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: 7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-9-[(1E)-1-[(E)-1-[4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylidenehydrazinylidene]ethyl]-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-[(E)-N-[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]-C-methylcarbonimidoyl]-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: 7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-9-[(E)-N-[(E)-1-[4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,7,12-tetrahydroxy-6,11-diketo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]-C-methyl-carbonimidoyl]-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C52H54N4O18 MolecularWeight: 1023.00116

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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=C5O)O)(C(=NN=C(C)C6(CC(C7=C(C8=C(C(=C7C6)O)C(=O)C9=C(C8=O)C(=CC=C9)O)O)OC1CC(C(C(O1)C)O)N)O)C)O)N)O

Isomeric SMILES

CC1OC(CC(C1O)N)OC2C3=C(C4=C(C(=O)C5=C(C4=O)C(=CC=C5)O)C(=C3CC(C2)(O)/C(=N/N=C(/C6(CC7=C(C8=C(C(=O)C9=C(C8=O)C=CC=C9O)C(=C7C(C6)OC1OC(C(C(C1)N)O)C)O)O)O)\C)/C)O)O

InChI

InChI=1S/C52H54N4O18/c1-17-41(59)25(53)11-31(71-17)73-29-15-51(69,13-23-35(29)49(67)39-37(45(23)63)43(61)21-7-5-9-27(57)33(21)47(39)65)19(3)55-56-20(4)52(70)14-24-36(30(16-52)74-32-12-26(54)42(60)18(2)72-32)50(68)40-38(46(24)64)44(62)22-8-6-10-28(58)34(22)48(40)66/h5-10,17-18,25-26,29-32,41-42,57-60,63-64,67-70H,11-16,53-54H2,1-4H3/b55-19+,56-20+