bis(prop-2-enyl) (2S)-2-[[4-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-ethanoyl-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]carbamoyloxymethyl]phenyl]carbamoylamino]pentanedioate

Systemtic Name: bis(prop-2-enyl) (2S)-2-[[4-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-ethanoyl-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]carbamoyloxymethyl]phenyl]carbamoylamino]pentanedioate Openeye Name: diallyl (2S)-2-[[4-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]carbamoyloxymethyl]phenyl]carbamoylamino]pentanedioate CAS Name: (2S)-2-[[[4-[[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]amino]-oxomethoxy]methyl]anilino]-oxomethyl]amino]pentanedioic acid bis(prop-2-enyl) ester IUPAC Name: bis(prop-2-enyl) (2S)-2-[[4-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]carbamoyloxymethyl]phenyl]carbamoylamino]pentanedioate Traditional Name: (2S)-2-[[4-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]carbamoyloxymethyl]phenyl]carbamoylamino]glutaric acid diallyl ester Formula: C47H51N3O17 MolecularWeight: 929.91774

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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)C)O)NC(=O)OCC6=CC=C(C=C6)NC(=O)NC(CCC(=O)OCC=C)C(=O)OCC=C)O

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)C)O)NC(=O)OCC6=CC=C(C=C6)NC(=O)N[C@@H](CCC(=O)OCC=C)C(=O)OCC=C)O

InChI

InChI=1S/C47H51N3O17/c1-6-17-63-33(52)16-15-29(44(58)64-18-7-2)49-45(59)48-26-13-11-25(12-14-26)22-65-46(60)50-30-19-34(66-23(3)39(30)53)67-32-21-47(61,24(4)51)20-28-36(32)43(57)38-37(41(28)55)40(54)27-9-8-10-31(62-5)35(27)42(38)56/h6-14,23,29-30,32,34,39,53,55,57,61H,1-2,15-22H2,3-5H3,(H,50,60)(H2,48,49,59)/t23-,29-,30-,32-,34-,39+,47-/m0/s1