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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H32BNO6
Molecular Weight 429.314
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[(2R)-2-[(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-2-[(1-oxopropyl)amino]ethyl]-2-methoxybenzoic acid

SMILES

[H][C@@]12C[C@@H]3C[C@@H](C3(C)C)[C@]1(C)OB(O2)[C@H](CC4=CC=CC(C(O)=O)=C4OC)NC(=O)CC

InChI

InChIKey=CIIFCZOAAZEPPH-KUFMKRIQSA-N
InChI=1S/C23H32BNO6/c1-6-19(26)25-18(10-13-8-7-9-15(21(27)28)20(13)29-5)24-30-17-12-14-11-16(22(14,2)3)23(17,4)31-24/h7-9,14,16-18H,6,10-12H2,1-5H3,(H,25,26)(H,27,28)/t14-,16-,17+,18-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H32BNO6
Molecular Weight 429.314
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:15:55 GMT 2023
Edited
by admin
on Sat Dec 16 15:15:55 GMT 2023
Record UNII
4ET44T877Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[(2R)-2-[(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-2-[(1-oxopropyl)amino]ethyl]-2-methoxybenzoic acid
Systematic Name English
Benzoic acid, 3-[(2R)-2-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-2-[(1-oxopropyl)amino]ethyl]-2-methoxy-
Systematic Name English
Code System Code Type Description
CAS
2100290-85-3
Created by admin on Sat Dec 16 15:15:55 GMT 2023 , Edited by admin on Sat Dec 16 15:15:55 GMT 2023
PRIMARY
PUBCHEM
140925494
Created by admin on Sat Dec 16 15:15:55 GMT 2023 , Edited by admin on Sat Dec 16 15:15:55 GMT 2023
PRIMARY
FDA UNII
4ET44T877Y
Created by admin on Sat Dec 16 15:15:55 GMT 2023 , Edited by admin on Sat Dec 16 15:15:55 GMT 2023
PRIMARY