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Details

Stereochemistry EPIMERIC
Molecular Formula C100H151FN9O36P
Molecular Weight 2105.2798
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P5(PEG24)-VC-PAB-exatecan

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C3N=C5C=C(F)C(C)=C6CC[C@H](NC(=O)OCC7=CC=C(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)C8=CC=C(NP(=O)(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C#C)C=C8)C(C)C)C=C7)C4=C56)C2=O

InChI

InChIKey=KZEPGSKCAWPFGG-HTZDUXJFSA-N
InChI=1S/C100H151FN9O36P/c1-6-100(119)83-69-88-92-81(71-110(88)96(115)82(83)73-144-97(100)116)90-85(19-18-80-75(5)84(101)70-87(105-92)89(80)90)107-99(118)145-72-76-10-14-78(15-11-76)104-94(113)86(9-8-20-103-98(102)117)106-95(114)91(74(3)4)108-93(112)77-12-16-79(17-13-77)109-147(120,7-2)146-68-67-143-66-65-142-64-63-141-62-61-140-60-59-139-58-57-138-56-55-137-54-53-136-52-51-135-50-49-134-48-47-133-46-45-132-44-43-131-42-41-130-40-39-129-38-37-128-36-35-127-34-33-126-32-31-125-30-29-124-28-27-123-26-25-122-24-23-121-22-21-111/h2,10-17,69-70,74,85-86,91,111,119H,6,8-9,18-68,71-73H2,1,3-5H3,(H,104,113)(H,106,114)(H,107,118)(H,108,112)(H,109,120)(H3,102,103,117)/t85-,86-,91-,100-,147?/m0/s1

HIDE SMILES / InChI

Molecular Formula C100H151FN9O36P
Molecular Weight 2105.2798
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
H9Q9Q9Z3PF
Record Status Validated (UNII)
Record Version