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1808990-66-0

1808990-66-0 | 1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[24-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-22-oxo-3,6,9,12,15,18-hexaoxa-21-azatetracos-1-yl]hexahydro-2-oxo-, (3aS,4S,6aR)-

CAS No: 1808990-66-0 Catalog No: AG0022F3 MDL No:

Product Description

Catalog Number:
AG0022F3
Chemical Name:
1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[24-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-22-oxo-3,6,9,12,15,18-hexaoxa-21-azatetracos-1-yl]hexahydro-2-oxo-, (3aS,4S,6aR)-
CAS Number:
1808990-66-0
Molecular Formula:
C31H51N5O11S
Molecular Weight:
701.8285
IUPAC Name:
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
InChI:
InChI=1S/C31H51N5O11S/c37-26(4-2-1-3-25-30-24(23-48-25)34-31(41)35-30)32-8-11-42-13-15-44-17-19-46-21-22-47-20-18-45-16-14-43-12-9-33-27(38)7-10-36-28(39)5-6-29(36)40/h5-6,24-25,30H,1-4,7-23H2,(H,32,37)(H,33,38)(H2,34,35,41)/t24-,25-,30-/m0/s1
InChI Key:
ILVNKONXZBFCPD-QRQMUESOSA-N
SMILES:
O=C(CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2)NCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O

Properties

Complexity:
1020  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
701.331g/mol
Formal Charge:
0
Heavy Atom Count:
48  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
701.833g/mol
Monoisotopic Mass:
701.331g/mol
Rotatable Bond Count:
29  
Topological Polar Surface Area:
217A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3  

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