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Details

Stereochemistry ABSOLUTE
Molecular Formula C53H63ClN8O10S
Molecular Weight 1039.633
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Surzetoclax

SMILES

CO[C@@H]1CC[C@@H](CNC2=CC=C(C=C2[N+]([O-])=O)S(=O)(=O)NC(=O)C3=CC=C(C=C3N4CCCOC5=C4C=C6C=CNC6=N5)N7CCN8CC9=C(CC(C)(C)C[C@H]9OCCCOC[C@@H]8C7)C%10=CC=C(Cl)C=C%10)OC1

InChI

InChIKey=AWGQQZVAXXLVMT-ORYVFAGJSA-N
InChI=1S/C53H63ClN8O10S/c1-53(2)27-43(34-6-8-36(54)9-7-34)44-31-60-20-19-59(30-38(60)32-69-21-5-23-70-49(44)28-53)37-10-14-42(46(25-37)61-18-4-22-71-52-48(61)24-35-16-17-55-50(35)57-52)51(63)58-73(66,67)41-13-15-45(47(26-41)62(64)65)56-29-39-11-12-40(68-3)33-72-39/h6-10,13-17,24-26,38-40,49,56H,4-5,11-12,18-23,27-33H2,1-3H3,(H,55,57)(H,58,63)/t38-,39-,40+,49+/m0/s1

HIDE SMILES / InChI

Molecular Formula C53H63ClN8O10S
Molecular Weight 1039.633
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
C3TU3CHH6L
Record Status Validated (UNII)
Record Version