[4-[(1-methyl-5-nitro-imidazol-2-yl)methoxycarbonylamino]phenyl]methyl N-[(2S,3S,4S,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]carbamate

Systemtic Name: [4-[(1-methyl-5-nitro-imidazol-2-yl)methoxycarbonylamino]phenyl]methyl N-[(2S,3S,4S,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]carbamate Openeye Name: [4-[(1-methyl-5-nitro-imidazol-2-yl)methoxycarbonylamino]phenyl]methyl N-[(2S,3S,4S,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]carbamate CAS Name: N-[(2S,3S,4S,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]carbamic acid [4-[[(1-methyl-5-nitro-2-imidazolyl)methoxy-oxomethyl]amino]phenyl]methyl ester IUPAC Name: [4-[(1-methyl-5-nitroimidazol-2-yl)methoxycarbonylamino]phenyl]methyl N-[(2S,3S,4S,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]carbamate Traditional Name: N-[(2S,3S,4S,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]carbamic acid [4-[(1-methyl-5-nitro-imidazol-2-yl)methoxycarbonylamino]benzyl] ester Formula: C41H41N5O17 MolecularWeight: 875.78754

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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)OCC6=CC=C(C=C6)NC(=O)OCC7=NC=C(N7C)[N+](=O)[O-])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)CO)O)NC(=O)OCC6=CC=C(C=C6)NC(=O)OCC7=NC=C(N7C)[N+](=O)[O-])O

InChI

InChI=1S/C41H41N5O17/c1-18-34(49)23(44-40(55)60-16-19-7-9-20(10-8-19)43-39(54)61-17-27-42-14-28(45(27)2)46(57)58)11-29(62-18)63-25-13-41(56,26(48)15-47)12-22-31(25)38(53)33-32(36(22)51)35(50)21-5-4-6-24(59-3)30(21)37(33)52/h4-10,14,18,23,25,29,34,47,49,51,53,56H,11-13,15-17H2,1-3H3,(H,43,54)(H,44,55)/t18-,23-,25-,29-,34+,41-/m0/s1