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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H25N4O9P.C6H14N2O2
Molecular Weight 678.6273
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-663749 LYSINE

SMILES

NCCCC[C@H](N)C(O)=O.COC1=CN=C(OC)C2=C1C(=CN2COP(O)(O)=O)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChIKey=ZBSWJVQMWMTXIV-ZSCHJXSPSA-N
InChI=1S/C23H25N4O9P.C6H14N2O2/c1-34-17-12-24-21(35-2)19-18(17)16(13-27(19)14-36-37(31,32)33)20(28)23(30)26-10-8-25(9-11-26)22(29)15-6-4-3-5-7-15;7-4-2-1-3-5(8)6(9)10/h3-7,12-13H,8-11,14H2,1-2H3,(H2,31,32,33);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1

HIDE SMILES / InChI

Molecular Formula C6H14N2O2
Molecular Weight 146.1876
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C23H25N4O9P
Molecular Weight 532.4398
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Protection against HIV-envelope-induced neuronal cell destruction by HIV attachment inhibitors.
2010 May
In vitro antiviral characteristics of HIV-1 attachment inhibitor BMS-626529, the active component of the prodrug BMS-663068.
2012 Jul
Inhibitors of HIV-1 attachment. Part 11: the discovery and structure-activity relationships associated with 4,6-diazaindole cores.
2013 Jan 1
Inhibitors of HIV-1 attachment. Part 7: indole-7-carboxamides as potent and orally bioavailable antiviral agents.
2013 Jan 1
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:07:01 GMT 2025
Edited
by admin
on Mon Mar 31 18:07:01 GMT 2025
Record UNII
81NFT2V315
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-663749 LYSINE SALT
Preferred Name English
BMS-663749 LYSINE
Common Name English
L-LYSINE, COMPD. WITH 1-BENZOYL-4-(2-(4,7-DIMETHOXY-1-((PHOSPHONOOXY)METHYL)-1H-PYRROLO(2,3-C)PYRIDIN-3-YL)-1,2-DIOXOETHYL)PIPERAZINE (1:1)
Systematic Name English
Code System Code Type Description
CAS
864953-34-4
Created by admin on Mon Mar 31 18:07:01 GMT 2025 , Edited by admin on Mon Mar 31 18:07:01 GMT 2025
PRIMARY
FDA UNII
81NFT2V315
Created by admin on Mon Mar 31 18:07:01 GMT 2025 , Edited by admin on Mon Mar 31 18:07:01 GMT 2025
PRIMARY
PUBCHEM
73425508
Created by admin on Mon Mar 31 18:07:01 GMT 2025 , Edited by admin on Mon Mar 31 18:07:01 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY