22-Carboxy-10,19,24-trioxo-3,6,12,15-tetraoxa-9,18,23-triazahentetracontanedioic acid, (22S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H63N3O13
Molecular Weight	733.887
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 22-Carboxy-10,19,24-trioxo-3,6,12,15-tetraoxa-9,18,23-triazahentetracontanedioic acid, (22S)-

Structure Search

SMILES

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

InChI

InChIKey=FWNCHLHLLRUEPD-LJAQVGFWSA-N

InChI=1S/C35H63N3O13/c39-30(36-19-21-48-23-25-50-27-32(41)37-20-22-49-24-26-51-28-34(44)45)18-17-29(35(46)47)38-31(40)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-33(42)43/h29H,1-28H2,(H,36,39)(H,37,41)(H,38,40)(H,42,43)(H,44,45)(H,46,47)/t29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H63N3O13
Molecular Weight	733.887
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 19:43:32 GMT 2025` Edited by `admin` on `Wed Apr 02 19:43:32 GMT 2025`
Record UNII	X9EQ74Z5J8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(22S)-22-Carboxy-10,19,24-trioxo-3,6,12,15-tetraoxa-9,18,23-triazahentetracontanedioic acid

Preferred Name

English

22-Carboxy-10,19,24-trioxo-3,6,12,15-tetraoxa-9,18,23-triazahentetracontanedioic acid, (22S)-

Systematic Name

English

3,6,12,15-Tetraoxa-9,18,23-triazahentetracontanedioic acid, 22-carboxy-10,19,24-trioxo-, (22S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

129288147

Created by admin on Wed Apr 02 19:43:32 GMT 2025 , Edited by admin on Wed Apr 02 19:43:32 GMT 2025

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FDA UNII

X9EQ74Z5J8

Created by admin on Wed Apr 02 19:43:32 GMT 2025 , Edited by admin on Wed Apr 02 19:43:32 GMT 2025

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CAS

1335440-44-2

Created by admin on Wed Apr 02 19:43:32 GMT 2025 , Edited by admin on Wed Apr 02 19:43:32 GMT 2025

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