Ue830u0cwl

Structural Information

Molecular Formula

C₄₆H₇₃FN₁₀O₂₃

SMILES

C[C@@H](C(=O)NCCOCCOCCOCCOCCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CNC(=O)CN2C=C(N=N2)CCC[18F])O)O)O

InChI

InChI=1S/C46H73FN10O23/c1-24(2)36(45(74)52-28(19-34(63)64)43(72)50-25(3)41(70)48-10-12-77-14-16-79-18-17-78-15-13-76-11-8-33(61)62)54-42(71)27(6-7-32(59)60)51-44(73)29(20-35(65)66)53-46(75)40-39(69)38(68)37(67)30(80-40)21-49-31(58)23-57-22-26(55-56-57)5-4-9-47/h22,24-25,27-30,36-40,67-69H,4-21,23H2,1-3H3,(H,48,70)(H,49,58)(H,50,72)(H,51,73)(H,52,74)(H,53,75)(H,54,71)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/t25-,27-,28-,29-,30-,36-,37-,38+,39+,40-/m0/s1/i47-1

InChIKey

SZXPYKHOFVWUDG-XXVAWOGHSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-3-carboxy-2-[[(2S,3R,4R,5R,6S)-6-[[[2-[4-(3-(18F)fluoranylpropyl)triazol-1-yl]acetyl]amino]methyl]-3,4,5-trihydroxyoxane-2-carbonyl]amino]propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 131801093