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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H32N6O10
Molecular Weight 588.5665
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-N-((3R,4R)-3-HYDROXY-1-((4-((3-METHOXYPHENYL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-5-YL)METHYL)-4-PIPERIDINYL)CARBAMATE

SMILES

COC1=CC(NC2=NC=NN3C=CC(CN4CC[C@@H](NC(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)[C@H](O)C4)=C23)=CC=C1

InChI

InChIKey=YAQOOLHQTOZATA-LYOSASGBSA-N
InChI=1S/C26H32N6O10/c1-40-15-4-2-3-14(9-15)29-23-18-13(5-8-32(18)28-12-27-23)10-31-7-6-16(17(33)11-31)30-26(39)42-25-21(36)19(34)20(35)22(41-25)24(37)38/h2-5,8-9,12,16-17,19-22,25,33-36H,6-7,10-11H2,1H3,(H,30,39)(H,37,38)(H,27,28,29)/t16-,17-,19+,20+,21-,22+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H32N6O10
Molecular Weight 588.5665
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:11:30 UTC 2023
Edited
by admin
on Sat Dec 16 15:11:30 UTC 2023
Record UNII
VB929NS4GP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANURONIC ACID, 1-N-((3R,4R)-3-HYDROXY-1-((4-((3-METHOXYPHENYL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-5-YL)METHYL)-4-PIPERIDINYL)CARBAMATE
Systematic Name English
BMS-690514 METABOLITE M24
Common Name English
Code System Code Type Description
CAS
1248590-56-8
Created by admin on Sat Dec 16 15:11:30 UTC 2023 , Edited by admin on Sat Dec 16 15:11:30 UTC 2023
PRIMARY
FDA UNII
VB929NS4GP
Created by admin on Sat Dec 16 15:11:30 UTC 2023 , Edited by admin on Sat Dec 16 15:11:30 UTC 2023
PRIMARY
PUBCHEM
155928987
Created by admin on Sat Dec 16 15:11:30 UTC 2023 , Edited by admin on Sat Dec 16 15:11:30 UTC 2023
PRIMARY
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