[(2R)-2-[[(5S,6S)-11-methoxy-3-methyl-5-[(2S,3R,4S,5S,6R)-6-methyl-5-(methylamino)-3-oxidanyl-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-5,6-dihydrobenzo[a]tetracen-2-yl]carbonylamino]propanoyl]oxymethyl 2,2-dimethylpropanoate

Systemtic Name: [(2R)-2-[[(5S,6S)-11-methoxy-3-methyl-5-[(2S,3R,4S,5S,6R)-6-methyl-5-(methylamino)-3-oxidanyl-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-5,6-dihydrobenzo[a]tetracen-2-yl]carbonylamino]propanoyl]oxymethyl 2,2-dimethylpropanoate Openeye Name: [(2R)-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoyl]oxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2R)-1-oxo-2-[[oxo-[(5S,6S)-1,6,9,14-tetrahydroxy-5-[[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-2-yl]methyl]amino]propoxy]methyl ester IUPAC Name: [(2R)-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoyl]oxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2R)-2-[[(5S,6S)-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-8,13-diketo-11-methoxy-3-methyl-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoyl]oxymethyl ester Formula: C46H54N2O20 MolecularWeight: 954.92236

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C3=C(C4=C(C(=C(C=C24)C)C(=O)NC(C)C(=O)OCOC(=O)C(C)(C)C)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)OC7C(C(C(CO7)O)O)O)NC

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=C(C4=C(C(=C(C=C24)C)C(=O)N[C@H](C)C(=O)OCOC(=O)C(C)(C)C)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)OC)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)NC

InChI

InChI=1S/C46H54N2O20/c1-15-9-22-28(35(55)25(15)41(59)48-16(2)42(60)64-14-65-45(61)46(4,5)6)27-20(12-21-29(36(27)56)32(52)19-10-18(62-8)11-23(49)26(19)31(21)51)33(53)39(22)67-44-38(58)40(30(47-7)17(3)66-44)68-43-37(57)34(54)24(50)13-63-43/h9-12,16-17,24,30,33-34,37-40,43-44,47,49-50,53-58H,13-14H2,1-8H3,(H,48,59)/t16-,17-,24-,30+,33+,34+,37-,38-,39+,40+,43+,44+/m1/s1