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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H62N2O4S
Molecular Weight 691.0203
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-955176

SMILES

C=C(C)[C@]1([H])CC[C@@]2(CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC=C(c6ccc(cc6)C(=O)O)C(C)(C)[C@]5([H])CC[C@]43C)[C@@]12[H])NCCN7CCS(=O)(=O)CC7

InChI

InChIKey=XDMUFNNPLXHNKA-ZTESCHFWSA-N
InChI=1S/C42H62N2O4S/c1-28(2)31-14-19-42(43-22-23-44-24-26-49(47,48)27-25-44)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(45)46)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,31,33-36,43H,1,12-14,16-27H2,2-7H3,(H,45,46)/t31-,33+,34-,35+,36+,39-,40+,41+,42-/m0/s1

HIDE SMILES / InChI

Molecular Formula C42H62N2O4S
Molecular Weight 691.0203
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:18:23 UTC 2021
Edited
by admin
on Sat Jun 26 00:18:23 UTC 2021
Record UNII
4CA9IAU7RJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-955176
Code English
GSK-3532795
Code English
BENZOIC ACID, 4-(17-((2-(1,1-DIOXIDO-4-THIOMORPHOLINYL)ETHYL)AMINO)-28-NORLUPA-2,20(29)-DIEN-3-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
4CA9IAU7RJ
Created by admin on Sat Jun 26 00:18:23 UTC 2021 , Edited by admin on Sat Jun 26 00:18:23 UTC 2021
PRIMARY
EVMPD
SUB197797
Created by admin on Sat Jun 26 00:18:23 UTC 2021 , Edited by admin on Sat Jun 26 00:18:23 UTC 2021
PRIMARY
DRUG BANK
DB15193
Created by admin on Sat Jun 26 00:18:23 UTC 2021 , Edited by admin on Sat Jun 26 00:18:23 UTC 2021
PRIMARY
CAS
1392312-45-6
Created by admin on Sat Jun 26 00:18:23 UTC 2021 , Edited by admin on Sat Jun 26 00:18:23 UTC 2021
PRIMARY
PUBCHEM
60152109
Created by admin on Sat Jun 26 00:18:23 UTC 2021 , Edited by admin on Sat Jun 26 00:18:23 UTC 2021
PRIMARY
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