Glucocorticoid receptor agonist-3 Ala-Ala-Mal

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H55FN4O12
Molecular Weight	910.979
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Glucocorticoid receptor agonist-3 Ala-Ala-Mal

Structure Search

SMILES

C[C@H](NC(=O)CCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)NC2=CC=CC(COC3=C(F)C([C@H]4O[C@@H]5C[C@H]6[C@@H]7CCC8=CC(=O)C=C[C@]8(C)[C@H]7[C@@H](O)C[C@]6(C)[C@@]5(O4)C(=O)CO)=C(C)C=C3)=C2

InChI

InChIKey=BISHTACTVXELTJ-VFAPTOKSSA-N

InChI=1S/C49H55FN4O12/c1-25-9-12-35(64-24-28-7-6-8-30(19-28)53-45(63)27(3)52-44(62)26(2)51-38(59)16-18-54-39(60)13-14-40(54)61)43(50)41(25)46-65-37-21-33-32-11-10-29-20-31(56)15-17-47(29,4)42(32)34(57)22-48(33,5)49(37,66-46)36(58)23-55/h6-9,12-15,17,19-20,26-27,32-34,37,42,46,55,57H,10-11,16,18,21-24H2,1-5H3,(H,51,59)(H,52,62)(H,53,63)/t26-,27-,32-,33-,34-,37+,42+,46-,47-,48-,49+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C49H55FN4O12
Molecular Weight	910.979
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:14:19 GMT 2025` Edited by `admin` on `Wed Apr 02 18:14:19 GMT 2025`
Record UNII	W8VEG6B97Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Glucocorticoid receptor agonist-3 Ala-Ala-Mal

Preferred Name

English

Code System Code Type Description

CAS

3014393-35-9

Created by admin on Wed Apr 02 18:14:19 GMT 2025 , Edited by admin on Wed Apr 02 18:14:19 GMT 2025

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FDA UNII

W8VEG6B97Q

Created by admin on Wed Apr 02 18:14:19 GMT 2025 , Edited by admin on Wed Apr 02 18:14:19 GMT 2025

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PUBCHEM

169494531

Created by admin on Wed Apr 02 18:14:19 GMT 2025 , Edited by admin on Wed Apr 02 18:14:19 GMT 2025

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