(22S)-45,45-Dimethyl-22-{[(2-methyl-2-propanyl)oxy]carbonyl}-10,19,24,43-tetraoxo-3,6,12,15,44-pentaoxa-9,18,23-triazahexatetracontan-1-oic acid (non-preferred name) | CAS No. 1188328-37-1

(22S)-45,45-Dimethyl-22-{[(2-methyl-2-propanyl)oxy]carbonyl}-10,19,24,43-tetraoxo-3,6,12,15,44-pentaoxa-9,18,23-triazahexatetracontan-1-oic acid (non-preferred name)

Basic Information

CAS Number

1188328-37-1

Molecular Formula

C45H83N3O13

Molecular Weight

874.15 g/mol

AD

Basic Physical Properties

C(O)(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(OC(C)(C)C)=O)C(OC(C)(C)C)=O

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

InChIKey

WFSAVPRDBQIQAX-QNGWXLTQSA-N

LogP

6.340000000000011

Topological Polar Surface Area

214.11999999999998 Ų

Hydrogen Bond Donor/Acceptor

4 / 16

Synonyms & References

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)-

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