(S)-22-(tert-Butoxycarbonyl)-45,45-dimethyl-10,19,24,43-tetraoxo-3,6,12,15,44-pentaoxa-9,18,23-triazahexatetracontanoic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H83N3O13
Molecular Weight	874.1528
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (S)-22-(tert-Butoxycarbonyl)-45,45-dimethyl-10,19,24,43-tetraoxo-3,6,12,15,44-pentaoxa-9,18,23-triazahexatetracontanoic acid

Structure Search

SMILES

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(O)=O)C(=O)OC(C)(C)C

InChI

InChIKey=WFSAVPRDBQIQAX-QNGWXLTQSA-N

InChI=1S/C45H83N3O13/c1-44(2,3)60-42(54)24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-39(50)48-37(43(55)61-45(4,5)6)25-26-38(49)46-27-29-56-31-33-58-35-40(51)47-28-30-57-32-34-59-36-41(52)53/h37H,7-36H2,1-6H3,(H,46,49)(H,47,51)(H,48,50)(H,52,53)/t37-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C45H83N3O13
Molecular Weight	874.1528
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:31:43 GMT 2025` Edited by `admin` on `Wed Apr 02 20:31:43 GMT 2025`
Record UNII	7F3E7RT8EG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-22-(tert-Butoxycarbonyl)-45,45-dimethyl-10,19,24,43-tetraoxo-3,6,12,15,44-pentaoxa-9,18,23-triazahexatetracontanoic acid

Systematic Name

English

3,6,12,15-Tetraoxa-9,18-diazatricosanedioic acid, 22-[[20-(1,1-dimethylethoxy)-1,20-dioxoeicosyl]amino]-10,19-dioxo-, 23-(1,1-dimethylethyl) ester, (22S)-

Preferred Name

English

23-(1,1-Dimethylethyl) (22S)-22-[[20-(1,1-dimethylethoxy)-1,20-dioxoeicosyl]amino]-10,19-dioxo-3,6,12,15-tetraoxa-9,18-diazatricosanedioate

Systematic Name

English

Code System Code Type Description

PUBCHEM

86644529

Created by admin on Wed Apr 02 20:31:43 GMT 2025 , Edited by admin on Wed Apr 02 20:31:43 GMT 2025

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CAS

1188328-37-1

Created by admin on Wed Apr 02 20:31:43 GMT 2025 , Edited by admin on Wed Apr 02 20:31:43 GMT 2025

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FDA UNII

7F3E7RT8EG

Created by admin on Wed Apr 02 20:31:43 GMT 2025 , Edited by admin on Wed Apr 02 20:31:43 GMT 2025

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