Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Br

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H49BrF2N3O12P
Molecular Weight	948.737
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Br

Structure Search

SMILES

C[C@H](NC(=O)CBr)C(=O)N[C@@H](C)C(=O)NC1=CC=CC(CC2=CC=C(C=C2)[C@@H]3O[C@@H]4C[C@H]5[C@@H]6C[C@H](F)C7=CC(=O)C=C[C@]7(C)[C@@]6(F)[C@@H](O)C[C@]5(C)[C@@]4(O3)C(=O)COP(O)(O)=O)=C1

InChI

InChIKey=LTEKXXMNHUVHKP-XXDIGLPESA-N

InChI=1S/C43H49BrF2N3O12P/c1-22(47-36(53)20-44)37(54)48-23(2)38(55)49-27-7-5-6-25(15-27)14-24-8-10-26(11-9-24)39-60-35-18-29-30-17-32(45)31-16-28(50)12-13-40(31,3)42(30,46)33(51)19-41(29,4)43(35,61-39)34(52)21-59-62(56,57)58/h5-13,15-16,22-23,29-30,32-33,35,39,51H,14,17-21H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H2,56,57,58)/t22-,23-,29-,30-,32-,33-,35+,39+,40-,41-,42-,43+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H49BrF2N3O12P
Molecular Weight	948.737
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:18:30 GMT 2025` Edited by `admin` on `Wed Apr 02 16:18:30 GMT 2025`
Record UNII	T6AC282PBX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-2-((2-bromo-1-hydroxyethylidene)amino)-N-((S)-1-((3-(4-((2S,6aS,6bR,7S,8aS,8bS,10R,11aR,12aS,12bS)-2,6b-difluoro-7-hydroxy-6a,8a-dimethyl-4-oxo-8b-(2-(phosphonooxy)acetyl)-2,4,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2

Preferred Name

English

Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Br

Common Name

English

[2-[(1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-6-[4-[[3-[[(2S)-2-[[(2S)-2-[(2-bromoacetyl)amino]propanoyl]amino]propanoyl]amino]phenyl]methyl]phenyl]-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-y

Systematic Name

English

Code System Code Type Description

FDA UNII

T6AC282PBX

Created by admin on Wed Apr 02 16:18:30 GMT 2025 , Edited by admin on Wed Apr 02 16:18:30 GMT 2025

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CAS

2345733-40-4

Created by admin on Wed Apr 02 16:18:30 GMT 2025 , Edited by admin on Wed Apr 02 16:18:30 GMT 2025

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PUBCHEM

148408229

Created by admin on Wed Apr 02 16:18:30 GMT 2025 , Edited by admin on Wed Apr 02 16:18:30 GMT 2025

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