| SpectraBase Spectrum ID |
8aKu0CCNZTD |
| Name |
4,10-bis(butylcarbamoyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylic acid dibenzyl ester |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H50N6O6 |
| InChI |
InChI=1S/C34H50N6O6/c1-3-5-17-35-31(41)37-19-23-39(33(43)45-27-29-13-9-7-10-14-29)25-21-38(32(42)36-18-6-4-2)22-26-40(24-20-37)34(44)46-28-30-15-11-8-12-16-30/h7-16H,3-6,17-28H2,1-2H3,(H,35,41)(H,36,42) |
| InChIKey |
CQZNUULWWGBOIU-UHFFFAOYSA-N |
| Molecular Weight |
638.810 g/mol |
| SMILES |
N(C(N1CCN(CCN(C(=O)NCCCC)CCN(CC1)C(OCc1ccccc1)=O)C(OCc1ccccc1)=O)=O)CCCC |
| SPLASH |
splash10-0006-9000021000-2685a56b84203ca7aeed |
| Source of Spectrum |
K1-2001-1947-8 |
| Synonyms |
4,10-bis[butylamino(oxo)methyl]-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylic acid bis(phenylmethyl) ester
bis(phenylmethyl) 4,10-bis(butylcarbamoyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
dibenzyl 4,10-bis(butylcarbamoyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate |
| Wiley ID |
846325 |
