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55536-96-4

55536-96-4 | 5-oxoprolyl-2,4(5)-diiodohistidyl-prolinamide

CAS No: 55536-96-4 Catalog No: AG00E5EG MDL No:

Product Description

Catalog Number:
AG00E5EG
Chemical Name:
5-oxoprolyl-2,4(5)-diiodohistidyl-prolinamide
CAS Number:
55536-96-4
IUPAC Name:
(2S)-N-[(2S)-1-[(2S)-2-amino-3-(2,4-diiodo-1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide
InChI:
InChI=1S/C16H20I2N6O4/c17-12-9(21-16(18)22-12)6-7(19)15(28)24-5-1-2-10(24)14(27)23-13(26)8-3-4-11(25)20-8/h7-8,10H,1-6,19H2,(H,20,25)(H,21,22)(H,23,26,27)/t7-,8-,10-/m0/s1
InChI Key:
VXHKQGLECYWLFN-NRPADANISA-N

Properties

Complexity:
665  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
613.964g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
614.183g/mol
Monoisotopic Mass:
613.964g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

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