CAS: 4434-05-3 - coumermycin A1

Formula: C₅₅H₅₉N₅O₂₀

InChI: InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1

InChI key: InChIKey=WTIJXIZOODAMJT-DHFGXMAYSA-N

SMILES: O=C1OC2=C(C=CC(OC3OC(C)(C)C(OC)C(OC(=O)C4=CC=C(N4)C)C3O)=C2C)C(O)=C1NC(=O)C5=CNC(C(=O)NC=6C(=O)OC7=C(C=CC(OC8OC(C)(C)C(OC)C(OC(=O)C9=CC=C(N9)C)C8O)=C7C)C6O)=C5C

Synonyms:

• (3-methyl-1H-pyrrole-2,4-diyl)bis[carbonylimino(2-hydroxy-8-methyl-4-oxo-4H-chromene-3,7-diyl)oxy(2S,3S,4R,5S)-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2,4-diyl] bis(5-methyl-1H-pyrrole-2-carboxylate) (non-preferred name)
• (3-methyl-1H-pyrrole-2,4-diyl)bis[carbonylimino(2-hydroxy-8-methyl-4-oxo-4H-chromene-3,7-diyl)oxy-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2,4-diyl] bis(5-methyl-1H-pyrrole-2-carboxylate) (non-preferred name)
• 1H-Pyrrole-2,4-dicarboxamide, N,N′-bis[7-[[6-deoxy-5-C-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-α-<span class="text-smallcaps">L</span>-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-3-methyl-
• 1H-Pyrrole-2,4-dicarboxamide, N²,N⁴-bis[7-[[6-deoxy-5-C-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-α-<span class="text-smallcaps">L</span>-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-3-methyl-
• 1H-Pyrrole-2-carboxylic acid, 5-methyl-, diester with N,N′-bis[7-[(6-deoxy-5-C-methyl-4-O-methyl-α-<span class="text-smallcaps">L</span>-lyxo-hexopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-3-methyl-1H-pyrrole-2,4-dicarboxamide
• Coumamycin
• Coumarin, 3,3′-[(3-methylpyrrole-2,4-diyl)bis(carbonylimino)]bis[7-[(5,5-di-C-methyl-4-O-methyl-α-<span class="text-smallcaps">L</span>-lyxopyranosyl)oxy]-4-hydroxy-8-methyl-, bis(5-methylpyrrole-2-carboxylate) (ester)
• Coumermycin A₁
• N²,N⁴-Bis[7-[[6-deoxy-5-C-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-α-<span class="text-smallcaps">L</span>-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-3-methyl-1H-pyrrole-2,4-dicarboxamide
• NSC 107412
• Notomycin A₁
• Pyrrole-2-carboxylic acid, 5-methyl-, diester with 3,3′-[(3-methylpyrrole-2,4-diyl)bis(carbonylimino)]bis[7-[(5,5-di-C-methyl-4-O-methyl-α-<span class="text-smallcaps">L</span>-lyxopyranosyl)oxy]-4-hydroxy-8-methylcoumarin]
• coumermycin A-1

Coumermycin A1

CAS: 4434-05-3

• Formula: C₅₅H₅₉N₅O₂₀
• Molecular weight: 1110.08