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1253286-56-4

1253286-56-4 | 4,7,10-Trioxa-13-azaoctadecanoic acid, 18-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-14-oxo-, 2,5-dioxo-1-pyrrolidinyl ester

CAS No: 1253286-56-4 Catalog No: AG000NHW MDL No:MFCD11974977

Product Description

Catalog Number:
AG000NHW
Chemical Name:
4,7,10-Trioxa-13-azaoctadecanoic acid, 18-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-14-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
1253286-56-4
Molecular Formula:
C23H36N4O9S
Molecular Weight:
544.6183
MDL Number:
MFCD11974977
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C23H36N4O9S/c28-18(4-2-1-3-17-22-16(15-37-17)25-23(32)26-22)24-8-10-34-12-14-35-13-11-33-9-7-21(31)36-27-19(29)5-6-20(27)30/h16-17,22H,1-15H2,(H,24,28)(H2,25,26,32)/t16-,17-,22-/m0/s1
InChI Key:
QIAUJZJSFIYGMH-HOIFWPIMSA-N
SMILES:
O=C(CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O

Properties

Complexity:
799  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
544.22g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
544.62g/mol
Monoisotopic Mass:
544.22g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
187A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  

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