[beta-glcnac-(1-4)-mur2ac(oyl-l-ala-gamma-d-igln-6-n-(beta-d-asp)-l-lys-d-ala-d-ala)]n

Structural Information

Molecular Formula

C₉₈H₁₆₂N₁₀O₂₈P₂

SMILES

C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)C[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)OP(=O)(O)OP(=O)(O)OC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C

InChI

InChI=1S/C98H162N10O28P2/c1-60(2)31-21-32-61(3)33-22-34-62(4)35-23-36-63(5)37-24-38-64(6)39-25-40-65(7)41-26-42-66(8)43-27-44-67(9)45-28-46-68(10)47-29-48-69(11)49-30-50-70(12)54-56-130-137(126,127)136-138(128,129)135-98-85(106-76(18)112)89(88(81(59-110)133-98)134-97-84(105-75(17)111)87(116)86(115)80(58-109)132-97)131-74(16)93(120)102-72(14)92(119)108-78(90(100)117)52-53-82(113)107-79(51-19-20-55-101-83(114)57-77(99)96(124)125)94(121)103-71(13)91(118)104-73(15)95(122)123/h31,33,35,37,39,41,43,45,47,49,54,71-74,77-81,84-89,97-98,109-110,115-116H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-59,99H2,1-18H3,(H2,100,117)(H,101,114)(H,102,120)(H,103,121)(H,104,118)(H,105,111)(H,106,112)(H,107,113)(H,108,119)(H,122,123)(H,124,125)(H,126,127)(H,128,129)/b61-33+,62-35+,63-37-,64-39-,65-41-,66-43-,67-45-,68-47-,69-49-,70-54-/t71-,72+,73-,74-,77-,78-,79+,80-,81-,84-,85-,86-,87-,88-,89-,97+,98-/m1/s1

InChIKey

LBWQSTBUXZWAPL-SNILWHOYSA-N

Compound name

(2R)-4-[[(5S)-5-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[hydroxy-[hydroxy-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-6-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-6-oxohexyl]amino]-2-amino-4-oxobutanoic acid

Related CIDs

• CID 90658840