1069067-08-8

1 2D Structure

2D Structure

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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