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60839-69-2 | 5-oxoprolyl-4(5)-iodohistidyl-prolinamide
CAS No: 60839-69-2 Catalog No: AG00F4J8 MDL No:
Product Description
Catalog Number:
AG00F4J8
Chemical Name:
5-oxoprolyl-4(5)-iodohistidyl-prolinamide
CAS Number:
60839-69-2
IUPAC Name:
(2S)-N-[(2S)-1-[(2S)-2-amino-3-(4-iodo-1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]-5-oxopyrrolidine-2-carboxamide
InChI:
InChI=1S/C16H21IN6O4/c17-13-10(19-7-20-13)6-8(18)16(27)23-5-1-2-11(23)15(26)22-14(25)9-3-4-12(24)21-9/h7-9,11H,1-6,18H2,(H,19,20)(H,21,24)(H,22,25,26)/t8-,9-,11-/m0/s1
InChI Key:
ZTETYXSXZAMVAT-QXEWZRGKSA-N
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
488.067g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
488.286g/mol
Monoisotopic Mass:
488.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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