Tri-tert-butyl 2,2',2''-(10-((2R,3S)-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Details

Stereochemistry	RACEMIC
Molecular Formula	C30H58N4O9
Molecular Weight	618.8029
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Tri-tert-butyl 2,2',2''-(10-((2R,3S)-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Structure Search

SMILES

CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(CCN(CC(=O)OC(C)(C)C)CC1)[C@H](CO)[C@H](O)CO

InChI

InChIKey=UXDFIUKCMKIGHT-DNQXCXABSA-N

InChI=1S/C30H58N4O9/c1-28(2,3)41-25(38)18-31-10-12-32(19-26(39)42-29(4,5)6)14-16-34(23(21-35)24(37)22-36)17-15-33(13-11-31)20-27(40)43-30(7,8)9/h23-24,35-37H,10-22H2,1-9H3/t23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H58N4O9
Molecular Weight	618.8029
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:50:53 GMT 2025` Edited by `admin` on `Wed Apr 02 14:50:53 GMT 2025`
Record UNII	89V3893HXD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Tri-tert-butyl 2,2',2''-(10-((2R,3S)-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Systematic Name

English

1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[(1R,2S)-2,3-dihydroxy-1-(hydroxymethyl)propyl]-, 1,4,7-tris(1,1-dimethylethyl) ester, rel-

Preferred Name

English

Code System Code Type Description

FDA UNII

89V3893HXD

Created by admin on Wed Apr 02 14:50:53 GMT 2025 , Edited by admin on Wed Apr 02 14:50:53 GMT 2025

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PUBCHEM

167713259

Created by admin on Wed Apr 02 14:50:53 GMT 2025 , Edited by admin on Wed Apr 02 14:50:53 GMT 2025

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CAS

2411850-82-1

Created by admin on Wed Apr 02 14:50:53 GMT 2025 , Edited by admin on Wed Apr 02 14:50:53 GMT 2025

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