Dtxsid401344445

Structural Information

Molecular Formula

C₉₅H₁₅₇N₉O₂₇P₂

SMILES

C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@@H](CCC[C@@H](C(=O)O)N)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)C(C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)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)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C

InChI

InChI=1S/C95H157N9O27P2/c1-58(2)30-19-31-59(3)32-20-33-60(4)34-21-35-61(5)36-22-37-62(6)38-23-39-63(7)40-24-41-64(8)42-25-43-65(9)44-26-45-66(10)46-27-47-67(11)48-28-49-68(12)54-55-125-132(121,122)131-133(123,124)130-95-82(102-74(18)108)86(85(79(57-106)128-95)129-94-81(101-73(17)107)84(111)83(110)78(56-105)127-94)126-72(16)89(114)98-70(14)88(113)103-77(52-53-80(97)109)91(116)104-76(51-29-50-75(96)93(119)120)90(115)99-69(13)87(112)100-71(15)92(117)118/h30,32,34,36,38,40,42,44,46,48,54,69-72,75-79,81-86,94-95,105-106,110-111H,19-29,31,33,35,37,39,41,43,45,47,49-53,55-57,96H2,1-18H3,(H2,97,109)(H,98,114)(H,99,115)(H,100,112)(H,101,107)(H,102,108)(H,103,113)(H,104,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)/b59-32+,60-34+,61-36+,62-38+,63-40+,64-42+,65-44+,66-46+,67-48+,68-54+/t69-,70+,71-,72?,75+,76-,77-,78-,79-,81-,82-,83-,84-,85-,86-,94+,95?/m1/s1

InChIKey

LKSKDJLUCDKSHW-WJEGFZIFSA-N

Compound name

(2S,6R)-6-[[(2R)-2-[[(2S)-2-[2-[(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-[(2E,6E,10E,14E,18E,22E,26E,30E,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]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-amino-7-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid

Related CIDs

• CID 11953874