Refchem:931700

Structural Information

Molecular Formula

C₅₈H₇₉Cl₂N₅O₃₅

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)NCCOC(=O)CC5=CC=CC=C5NC6=C(C=CC=C6Cl)Cl)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O

InChI

InChI=1S/C58H79Cl2N5O35/c1-17(69)62-29-42(32(73)24(14-66)90-53(29)88)93-58-41(82)38(79)46(49(100-58)52(86)87)97-55-31(64-19(3)71)44(34(75)26(16-68)92-55)95-57-40(81)37(78)45(48(99-57)50(83)61-11-12-89-27(72)13-20-7-4-5-10-23(20)65-28-21(59)8-6-9-22(28)60)96-54-30(63-18(2)70)43(33(74)25(15-67)91-54)94-56-39(80)35(76)36(77)47(98-56)51(84)85/h4-10,24-26,29-49,53-58,65-68,73-82,88H,11-16H2,1-3H3,(H,61,83)(H,62,69)(H,63,70)(H,64,71)(H,84,85)(H,86,87)/t24-,25-,26-,29-,30-,31-,32-,33-,34-,35+,36+,37-,38-,39-,40-,41-,42-,43-,44-,45+,46+,47+,48+,49+,53-,54+,55+,56-,57-,58-/m1/s1

InChIKey

SBQKIAATAMGBFR-NOWFGEBOSA-N

Compound name

(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethylcarbamoyl]-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Related CIDs

• CID 86278363