[(2S,3S,4S,6R)-6-[[(1S,3S)-3-[2-[(3S)-3-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]oxyethanoyl]-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]azanium chloride

Systemtic Name: [(2S,3S,4S,6R)-6-[[(1S,3S)-3-[2-[(3S)-3-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]oxyethanoyl]-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]azanium chloride Openeye Name: [(2S,3S,4S,6R)-6-[[(1S,3S)-3-[2-[(3S)-3-acetamido-4-hydroxy-4-oxo-butanoyl]oxyacetyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]ammonium chloride CAS Name: [(2S,3S,4S,6R)-6-[[(1S,3S)-3-[2-[(3S)-3-acetamido-4-hydroxy-1,4-dioxobutoxy]-1-oxoethyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]ammonium chloride IUPAC Name: [(2S,3S,4S,6R)-6-[[(1S,3S)-3-[2-[(3S)-3-acetamido-4-hydroxy-4-oxobutanoyl]oxyacetyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]azanium chloride Traditional Name: [(2S,3S,4S,6R)-6-[[(1S,3S)-3-[2-[(3S)-3-acetamido-4-hydroxy-4-keto-butanoyl]oxyacetyl]-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]ammonium chloride Formula: C33H37ClN2O15 MolecularWeight: 737.10428

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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)COC(=O)CC(C(=O)O)NC(=O)C)O)[NH3+])O.[Cl-]

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)COC(=O)C[C@@H](C(=O)O)NC(=O)C)O)[NH3+])O.[Cl-]

InChI

InChI=1S/C33H36N2O15.ClH/c1-12-27(39)16(34)7-22(49-12)50-19-10-33(46,20(37)11-48-21(38)8-17(32(44)45)35-13(2)36)9-15-24(19)31(43)26-25(29(15)41)28(40)14-5-4-6-18(47-3)23(14)30(26)42;/h4-6,12,16-17,19,22,27,39,41,43,46H,7-11,34H2,1-3H3,(H,35,36)(H,44,45);1H/t12-,16-,17-,19-,22-,27+,33-;/m0./s1