(3-methyl-2-nitro-imidazol-4-yl)methyl 4-[(2S,3S,4R,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]piperazine-1-carboxylate

Systemtic Name: (3-methyl-2-nitro-imidazol-4-yl)methyl 4-[(2S,3S,4R,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]piperazine-1-carboxylate Openeye Name: (3-methyl-2-nitro-imidazol-4-yl)methyl 4-[(2S,3S,4R,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]piperazine-1-carboxylate CAS Name: 4-[(2S,3S,4R,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]-1-piperazinecarboxylic acid (3-methyl-2-nitro-4-imidazolyl)methyl ester IUPAC Name: (3-methyl-2-nitroimidazol-4-yl)methyl 4-[(2S,3S,4R,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]piperazine-1-carboxylate Traditional Name: 4-[(2S,3S,4R,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]piperazine-1-carboxylic acid (3-methyl-2-nitro-imidazol-4-yl)methyl ester Formula: C37H41N5O14 MolecularWeight: 779.74654

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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)N6CCN(CC6)C(=O)OCC7=CN=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)C)O)N6CCN(CC6)C(=O)OCC7=CN=C(N7C)[N+](=O)[O-])O

InChI

InChI=1S/C37H41N5O14/c1-17-30(44)22(40-8-10-41(11-9-40)36(49)54-16-19-15-38-35(39(19)3)42(51)52)12-25(55-17)56-24-14-37(50,18(2)43)13-21-27(24)34(48)29-28(32(21)46)31(45)20-6-5-7-23(53-4)26(20)33(29)47/h5-7,15,17,22,24-25,30,44,46,48,50H,8-14,16H2,1-4H3/t17-,22+,24-,25-,30+,37-/m0/s1