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111790-41-1 | biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide
CAS No: 111790-41-1 Catalog No: AG009LBB MDL No:
Product Description
Catalog Number:
AG009LBB
Chemical Name:
biotinylamidoethyl-3-(3-iodo-4-hydroxyphenyl)propionamide
CAS Number:
111790-41-1
IUPAC Name:
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-iodophenyl)propanoylamino]ethyl]pentanamide
InChI:
InChI=1S/C21H29IN4O4S/c22-14-11-13(5-7-16(14)27)6-8-19(29)24-10-9-23-18(28)4-2-1-3-17-20-15(12-31-17)25-21(30)26-20/h5,7,11,15,17,20,27H,1-4,6,8-10,12H2,(H,23,28)(H,24,29)(H2,25,26,30)/t15-,17-,20-/m0/s1
InChI Key:
ODFFLADJFTXWGN-KNBMTAEXSA-N
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
560.095g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
560.451g/mol
Monoisotopic Mass:
560.095g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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