U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31N5O7
Molecular Weight 502.5384
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VV116 free base

SMILES

[2H]C1=C2N(N=CN=C2N)C(=C1)[C@@]3(O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]3OC(=O)C(C)C)C#N

InChI

InChIKey=RVSSLHFYCSUAHY-QXMJNOOVSA-N
InChI=1S/C24H31N5O7/c1-12(2)21(30)33-9-16-18(34-22(31)13(3)4)19(35-23(32)14(5)6)24(10-25,36-16)17-8-7-15-20(26)27-11-28-29(15)17/h7-8,11-14,16,18-19H,9H2,1-6H3,(H2,26,27,28)/t16-,18-,19-,24+/m1/s1/i7D

HIDE SMILES / InChI

Molecular Formula C24H31N5O7
Molecular Weight 502.5384
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:35:00 GMT 2023
Edited
by admin
on Sat Dec 16 19:35:00 GMT 2023
Record UNII
MF2PS6XPS4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VV116 free base
Code English
VV-116 free base
Code English
Code System Code Type Description
PUBCHEM
163358784
Created by admin on Sat Dec 16 19:35:00 GMT 2023 , Edited by admin on Sat Dec 16 19:35:00 GMT 2023
PRIMARY
FDA UNII
MF2PS6XPS4
Created by admin on Sat Dec 16 19:35:00 GMT 2023 , Edited by admin on Sat Dec 16 19:35:00 GMT 2023
PRIMARY
CAS
2647442-33-7
Created by admin on Sat Dec 16 19:35:00 GMT 2023 , Edited by admin on Sat Dec 16 19:35:00 GMT 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
SALT/SOLVATE -> PARENT
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METABOLITE ACTIVE -> PRODRUG