1069067-08-8

Chemistry, 2 End Use API, 5 Related Intermediates

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Also known as: 1069067-08-8, 2,2-dimethyl-4,13-dioxo-3,8,11,17,20-pentaoxa-5,14-diazadocosan-22-oic acid, Mfcd09752854, 2-[2-[2-[[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid, 17-(t-butyloxycarbonyl-amino)-9-aza-3,6,12,15-tetraoxa-10-on-heptadecanoic acid, Boc-aeea-aeea

Molecular Formula

C₁₇H₃₂N₂O₉

Molecular Weight

408.4 g/mol

InChI Key

QXIKSCWOIOVKSH-UHFFFAOYSA-N

1 2D Structure

1069067-08-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[2-[2-[[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid

2.1.2 InChI

InChI=1S/C17H32N2O9/c1-17(2,3)28-16(23)19-5-7-25-8-10-26-12-14(20)18-4-6-24-9-11-27-13-15(21)22/h4-13H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)

2.1.3 InChI Key

QXIKSCWOIOVKSH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1069067-08-8

2. 2,2-dimethyl-4,13-dioxo-3,8,11,17,20-pentaoxa-5,14-diazadocosan-22-oic Acid

3. Mfcd09752854

4. 2-[2-[2-[[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic Acid

5. 17-(t-butyloxycarbonyl-amino)-9-aza-3,6,12,15-tetraoxa-10-on-heptadecanoic Acid

6. Boc-aeea-aeea

7. Schembl13137474

8. Dtxsid90679789

9. Akos030212195

10. Bs-45219

11. Sy345180

12. E78396

13. 17-(boc-amino)-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic Acid

2.3 Create Date

2011-05-03

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₃₂N₂O₉
Molecular Weight	408.4 g/mol
XLogP3	-0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	18
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	142
Heavy Atom Count	28
Formal Charge	0
Complexity	452
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

1069067-08-8

Intermediate Name

2,2-Dimethyl-4,13-dioxo-3,8,11,17,2...

About the Company

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core...

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core focus includes: custom synthesis, process development, and manufacturing of key intermediates,API,amino acid and peptides. At LinkChem we support the virtually integrated pharma company with unparralled expertise throughout the entire product lifecycle. We collaborate with both Pharmaceutical and Generic companies from drug development to commercialization.

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