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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H53N7O6S2
Molecular Weight 792.022
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXY COBICISTAT

SMILES

CN(CC1=CSC(=N1)C(C)(C)O)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5

InChI

InChIKey=ZPDCQPXIILFDPF-FAJRIDIVSA-N
InChI=1S/C40H53N7O6S2/c1-40(2,51)37-43-33(27-54-37)25-46(3)38(49)45-35(16-17-47-18-20-52-21-19-47)36(48)42-31(22-29-10-6-4-7-11-29)14-15-32(23-30-12-8-5-9-13-30)44-39(50)53-26-34-24-41-28-55-34/h4-13,24,27-28,31-32,35,51H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t31-,32-,35+/m1/s1

HIDE SMILES / InChI

Molecular Formula C40H53N7O6S2
Molecular Weight 792.022
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
R59G4A8U34
Record Status Validated (UNII)
Record Version