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Details

Stereochemistry ABSOLUTE
Molecular Formula C75H94FN15O19
Molecular Weight 1528.6364
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-686117

SMILES

CCC1=CC(OC)=CC=C1C2=CC=C(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(CC3=CC=CC=C3F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)CC4=CN=CN4)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC5=CC=C(N=C5)C6=CC=CC=C6C)C(N)=O)C=C2

InChI

InChIKey=ZLVRQSAYTXYDPX-VGLKCPPXSA-N
InChI=1S/C75H94FN15O19/c1-9-44-30-48(110-8)23-24-50(44)45-21-18-42(19-22-45)28-56(67(103)83-55(64(78)100)29-43-20-25-53(80-34-43)49-16-12-10-14-39(49)2)84-68(104)57(32-61(98)99)85-69(105)58(37-92)86-70(106)62(40(3)93)89-73(109)75(7,33-46-15-11-13-17-51(46)76)91-71(107)63(41(4)94)88-59(95)36-81-66(102)54(26-27-60(96)97)87-72(108)74(5,6)90-65(101)52(77)31-47-35-79-38-82-47/h10-25,30,34-35,38,40-41,52,54-58,62-63,92-94H,9,26-29,31-33,36-37,77H2,1-8H3,(H2,78,100)(H,79,82)(H,81,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,108)(H,88,95)(H,89,109)(H,90,101)(H,91,107)(H,96,97)(H,98,99)/t40-,41-,52+,54+,55+,56+,57+,58+,62+,63+,75+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BMS-686117
Common Name English
BMS 686117
Code English
(4S)-4-((2-(((2S)-2-AMINO-3-(1H-IMIDAZOL-5-YL)PROPANOYL)AMINO)-2-METHYL-PROPANOYL)AMINO)-5-((2-(((1S,2R)-1-(((1S)-2-(((1S,2R)-1-(((1S)-2-(((1S)-1-(((1S)-2-(((1S)-2-AMINO-1-((6-(O-TOLYL)-3-PYRIDYL)METHYL)-2-OXO-ETHYL)AMINO)-1-((4-(2-ETHYL-4-METHOXY-PHENYL
Systematic Name English
L-ALANINAMIDE, L-HISTIDYL-2-METHYLALANYL-L-.ALPHA.-GLUTAMYLGLYCYL-L-THREONYL-2-FLUORO-.ALPHA.-METHYL-L-PHENYLALANYL-L-THREONYL-L-SERYL-L-.ALPHA.-ASPARTYL-3-(2'-ETHYL-4'-METHOXY(1,1'-BIPHENYL)-4-YL)-L-ALANYL-3-(6-(2-METHYLPHENYL)-3-PYRIDINYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
QX4U8JPV3Z
Created by admin on Sat Dec 16 11:31:17 UTC 2023 , Edited by admin on Sat Dec 16 11:31:17 UTC 2023
PRIMARY
CLINICAL_TRIALS.GOV
BMS-686117
Created by admin on Sat Dec 16 11:31:17 UTC 2023 , Edited by admin on Sat Dec 16 11:31:17 UTC 2023
PRIMARY Official Title: Randomized, Placebo-Controlled, Single-Dose, Crossover Study to Evaluate the Safety, Pharmacokinetics, and Pharmacodynamics of BMS-686117 in Subjects With Type 2 DiabetesThe purpose of this study is to evaluate the safety, pharmacokinetics and pharmacodynamics of single doses of BMS-686117.
PUBCHEM
16158209
Created by admin on Sat Dec 16 11:31:17 UTC 2023 , Edited by admin on Sat Dec 16 11:31:17 UTC 2023
PRIMARY
CAS
1122588-18-4
Created by admin on Sat Dec 16 11:31:17 UTC 2023 , Edited by admin on Sat Dec 16 11:31:17 UTC 2023
PRIMARY