(4-nitrophenyl)methyl N-[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]carbamoyl]phenyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[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]carbamoyl]phenyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[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]carbamoyl]phenyl]carbamate CAS Name: N-[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]amino]-oxomethyl]phenyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[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]carbamoyl]phenyl]carbamate Traditional Name: N-[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]carbamoyl]phenyl]carbamic acid (4-nitrobenzyl) ester Formula: C42H39N3O16 MolecularWeight: 841.76956

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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)NC(=O)C6=CC=C(C=C6)NC(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])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)NC(=O)C6=CC=C(C=C6)NC(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])O

InChI

InChI=1S/C42H39N3O16/c1-19-35(48)26(44-40(53)21-8-10-22(11-9-21)43-41(54)59-18-20-6-12-23(13-7-20)45(56)57)14-30(60-19)61-28-16-42(55,29(47)17-46)15-25-32(28)39(52)34-33(37(25)50)36(49)24-4-3-5-27(58-2)31(24)38(34)51/h3-13,19,26,28,30,35,46,48,50,52,55H,14-18H2,1-2H3,(H,43,54)(H,44,53)/t19-,26?,28-,30-,35+,42-/m0/s1