3-azanyl-N,N'-bis[(E)-1-[4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]pentanediamide trihydrochloride

Systemtic Name: 3-azanyl-N,N'-bis[(E)-1-[4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]pentanediamide trihydrochloride Openeye Name: 3-amino-N,N'-bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]pentanediamide trihydrochloride CAS Name: 3-amino-N,N'-bis[(E)-1-[4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]pentanediamide trihydrochloride IUPAC Name: 3-amino-N,N'-bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]pentanediamide trihydrochloride Traditional Name: 3-amino-N,N'-bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-6,11-diketo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]glutaramide trihydrochloride Formula: C57H66Cl3N7O18 MolecularWeight: 1243.52904

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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=CC=CC=C5C4=O)O)(C(=NNC(=O)CC(CC(=O)NN=C(C)C6(CC(C7=C(C8=C(C(=C7C6)O)C(=O)C9=CC=CC=C9C8=O)O)OC1CC(C(C(O1)C)O)N)O)N)C)O)N)O.Cl.Cl.Cl

Isomeric SMILES

CC1OC(CC(C1O)N)OC2C3=C(C4=C(C(=O)C5=CC=CC=C5C4=O)C(=C3CC(C2)(O)/C(=N/NC(=O)CC(N)CC(=O)N/N=C(/C6(CC7=C(C8=C(C(=O)C9=CC=CC=C9C8=O)C(=C7C(C6)OC1OC(C(C(C1)N)O)C)O)O)O)\C)/C)O)O.Cl.Cl.Cl

InChI

InChI=1S/C57H63N7O18.3ClH/c1-21-46(67)32(59)15-38(79-21)81-34-19-56(77,17-30-40(34)54(75)44-42(52(30)73)48(69)26-9-5-7-11-28(26)50(44)71)23(3)61-63-36(65)13-25(58)14-37(66)64-62-24(4)57(78)18-31-41(35(20-57)82-39-16-33(60)47(68)22(2)80-39)55(76)45-43(53(31)74)49(70)27-10-6-8-12-29(27)51(45)72;;;/h5-12,21-22,25,32-35,38-39,46-47,67-68,73-78H,13-20,58-60H2,1-4H3,(H,63,65)(H,64,66);3*1H/b61-23+,62-24+;;;