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Details

Stereochemistry ABSOLUTE
Molecular Formula C47H45FN6O17
Molecular Weight 984.8886
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of M-9140 drug-linker

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C3N=C5C=C(F)C(C)=C6CC[C@H](NC(=O)OCC7=CC(NC(=O)CNC(=O)CCN8C(=O)C=CC8=O)=C(O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)C(O)=O)C=C7)C4=C56)C2=O

InChI

InChIKey=UNHOOUVLRYPIIK-VBWIOPQNSA-N
InChI=1S/C47H45FN6O17/c1-3-47(67)24-13-29-37-22(16-54(29)42(62)23(24)18-68-45(47)65)36-26(6-5-21-19(2)25(48)14-28(51-37)35(21)36)52-46(66)69-17-20-4-7-30(70-44-40(61)38(59)39(60)41(71-44)43(63)64)27(12-20)50-32(56)15-49-31(55)10-11-53-33(57)8-9-34(53)58/h4,7-9,12-14,26,38-41,44,59-61,67H,3,5-6,10-11,15-18H2,1-2H3,(H,49,55)(H,50,56)(H,52,66)(H,63,64)/t26-,38-,39-,40+,41-,44+,47-/m0/s1

HIDE SMILES / InChI

Molecular Formula C47H45FN6O17
Molecular Weight 984.8886
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
PL7FG32WW9
Record Status Validated (UNII)
Record Version