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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H53N5O7S2
Molecular Weight 755.987
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TMC-310911

SMILES

[H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](CC3=CC=CC=C3)[C@H](O)CN(CC(C)C)S(=O)(=O)C4=CC=C5N=C(NC6CCN(CC6)C7CCCC7)SC5=C4

InChI

InChIKey=JQUNFHFWXCXPRK-AMMMHQJVSA-N
InChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H53N5O7S2
Molecular Weight 755.987
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

ASC-09 orTMC-310911, a HIV protease inhibitor, participated in phase II clinical for the treatment of Human Immunodeficiency Virus Type 1. However, no recent development has been reported.

Originator

Approval Year

Sample Use Guides

In Vivo Use Guide
75 mg twice daily orally (by mouth) on Days 1 to 14.
Route of Administration: Oral
Substance Class Chemical
Record UNII
0151W500HP
Record Status Validated (UNII)
Record Version