Glucocorticoid receptor agonist-1-Gly-Gly-Glu-Gly-Br

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H57BrN4O13
Molecular Weight	977.889
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Glucocorticoid receptor agonist-1-Gly-Gly-Glu-Gly-Br

Structure Search

SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]5O[C@H](O[C@@]25C(=O)CO)C6=CC=C(CC7=CC=C(COCNC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)CBr)C=C7)C=C6

InChI

InChIKey=PVCRMQBJCXREDG-KNJCUFKYSA-N

InChI=1S/C48H57BrN4O13/c1-46-16-15-32(55)18-31(46)11-12-33-34-19-38-48(37(57)24-54,47(34,2)20-36(56)43(33)46)66-45(65-38)30-9-7-28(8-10-30)17-27-3-5-29(6-4-27)25-64-26-52-40(59)22-51-44(63)35(13-14-42(61)62)53-41(60)23-50-39(58)21-49/h3-10,15-16,18,33-36,38,43,45,54,56H,11-14,17,19-26H2,1-2H3,(H,50,58)(H,51,63)(H,52,59)(H,53,60)(H,61,62)/t33-,34-,35-,36-,38+,43+,45+,46-,47-,48+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C48H57BrN4O13
Molecular Weight	977.889
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:31:39 GMT 2025` Edited by `admin` on `Wed Apr 02 20:31:39 GMT 2025`
Record UNII	RTV968XE7K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Glucocorticoid receptor agonist-1-Gly-Gly-Glu-Gly-Br

Common Name

English

(4S)-4-[[2-[(2-bromoacetyl)amino]acetyl]amino]-5-[[2-[[4-[[4-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-6-yl]phenyl]me

Preferred Name

English

Code System Code Type Description

PUBCHEM

168476133

Created by admin on Wed Apr 02 20:31:39 GMT 2025 , Edited by admin on Wed Apr 02 20:31:39 GMT 2025

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FDA UNII

RTV968XE7K

Created by admin on Wed Apr 02 20:31:39 GMT 2025 , Edited by admin on Wed Apr 02 20:31:39 GMT 2025

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CAS

2913234-81-6

Created by admin on Wed Apr 02 20:31:39 GMT 2025 , Edited by admin on Wed Apr 02 20:31:39 GMT 2025

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