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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H25N5O7
Molecular Weight 495.4846
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VRT-18858

SMILES

OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)C3=NC=CC4=CC=CC=C34)C=O

InChI

InChIKey=CUVNEENHHCPUBW-SZMVWBNQSA-N
InChI=1S/C24H25N5O7/c30-13-15(12-20(32)33)26-22(34)18-6-3-11-28-19(31)8-7-17(24(36)29(18)28)27-23(35)21-16-5-2-1-4-14(16)9-10-25-21/h1-2,4-5,9-10,13,15,17-18H,3,6-8,11-12H2,(H,26,34)(H,27,35)(H,32,33)/t15-,17-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H25N5O7
Molecular Weight 495.4846
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:55:18 GMT 2023
Edited
by admin
on Sat Dec 16 18:55:18 GMT 2023
Record UNII
WV88DU3MUX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VRT-18858
Code English
RU-38384
Code English
VRT18858
Code English
(3S)-3-((((1S,9S)-OCTAHYDRO-9-((1-ISOQUINOLINYLCARBONYL)AMINO)-6,10-DIOXO-6H-PYRIDAZINO(1,2-A)(1,2)DIAZEPIN-1-YL)CARBONYL)AMINO)-4-OXOBUTANOIC ACID
Systematic Name English
RU38384
Code English
BUTANOIC ACID, 3-((((1S,9S)-OCTAHYDRO-9-((1-ISOQUINOLINYLCARBONYL)AMINO)-6,10-DIOXO-6H-PYRIDAZINO(1,2-A)(1,2)DIAZEPIN-1-YL)CARBONYL)AMINO)-4-OXO-, (3S)-
Systematic Name English
Code System Code Type Description
FDA UNII
WV88DU3MUX
Created by admin on Sat Dec 16 18:55:19 GMT 2023 , Edited by admin on Sat Dec 16 18:55:19 GMT 2023
PRIMARY
PUBCHEM
9848628
Created by admin on Sat Dec 16 18:55:19 GMT 2023 , Edited by admin on Sat Dec 16 18:55:19 GMT 2023
PRIMARY
CAS
192756-07-3
Created by admin on Sat Dec 16 18:55:19 GMT 2023 , Edited by admin on Sat Dec 16 18:55:19 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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PRODRUG -> METABOLITE ACTIVE