tert-butyl 3,5-dimethoxy-4-[(2S,3S,6R)-6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 3,5-dimethoxy-4-[(2S,3S,6R)-6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S,3S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropyran-4-yl]-3,5-dimethoxy-piperazine-1-carboxylate CAS Name: 4-[(2S,3S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-oxanyl]-3,5-dimethoxy-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S,3S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]-3,5-dimethoxypiperazine-1-carboxylate Traditional Name: 4-[(2S,3S,6R)-6-[[(1S,3S)-3-glycoloyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-3,5-dimethoxy-piperazine-1-carboxylic acid tert-butyl ester Formula: C38H48N2O15 MolecularWeight: 772.79212

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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)CO)O)N6C(CN(CC6OC)C(=O)OC(C)(C)C)OC)O

Isomeric SMILES

C[C@H]1[C@H](C(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)CO)O)N6C(CN(CC6OC)C(=O)OC(C)(C)C)OC)O

InChI

InChI=1S/C38H48N2O15/c1-17-31(43)20(40-24(51-6)14-39(15-25(40)52-7)36(48)55-37(2,3)4)11-26(53-17)54-22-13-38(49,23(42)16-41)12-19-28(22)35(47)30-29(33(19)45)32(44)18-9-8-10-21(50-5)27(18)34(30)46/h8-10,17,20,22,24-26,31,41,43,45,47,49H,11-16H2,1-7H3/t17-,20?,22-,24?,25?,26-,31+,38-/m0/s1