1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(16R)-9,10-dimethoxy-6-oxo-12-oxa-1,5,19-triazatricyclo[17.3.2.17,11]pentacosa-7(25),8,10-trien-16-yl] 3,4,5-trimethoxybenzoate

2.1.2 InChI

InChI=1S/C33H47N3O9/c1-39-26-19-23-20-29(31(26)43-5)44-18-6-9-25(45-33(38)24-21-27(40-2)30(42-4)28(22-24)41-3)10-15-36-14-8-13-35(16-17-36)12-7-11-34-32(23)37/h19-22,25H,6-18H2,1-5H3,(H,34,37)/t25-/m1/s1

2.1.3 InChI Key

VIUYKJLZCCMVQW-RUZDIDTESA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Eos-984

2. 2724937-55-5

3. Eos984

4. Orb2646015

5. Schembl25128835

6. Gtpl13932

7. Ex-a9757

8. Eos301984

9. Compound 10 [us20230203058a1]

10. Hy-159650

2.3 Create Date

2021-11-10

3 Chemical and Physical Properties

Molecular Formula	C₃₃H₄₇N₃O₉
Molecular Weight	629.7 g/mol
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	117
Heavy Atom Count	45
Formal Charge	0
Complexity	883
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

EOS-984

EOS-984

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