tert-butyl 3-cyano-5-methoxy-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-cyano-5-methoxy-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 3-cyano-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]-5-methoxy-piperazine-1-carboxylate CAS Name: 3-cyano-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]-5-methoxy-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-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]-5-methoxypiperazine-1-carboxylate Traditional Name: 3-cyano-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]-5-methoxy-piperazine-1-carboxylic acid tert-butyl ester Formula: C38H45N3O14 MolecularWeight: 767.7756

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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)C#N)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)C#N)O

InChI

InChI=1S/C38H45N3O14/c1-17-31(44)21(41-18(13-39)14-40(15-25(41)52-6)36(49)55-37(2,3)4)10-26(53-17)54-23-12-38(50,24(43)16-42)11-20-28(23)35(48)30-29(33(20)46)32(45)19-8-7-9-22(51-5)27(19)34(30)47/h7-9,17-18,21,23,25-26,31,42,44,46,48,50H,10-12,14-16H2,1-6H3/t17-,18?,21?,23-,25?,26-,31+,38-/m0/s1