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52194-62-4

52194-62-4 structural image
Product Name: (-)-N-[(S)-2-Hydroxy-3-mercapto(1)propionyl]-L-Tyr-L-Ile-L-Gln-L-Asn-L-Cys(1)-L-Pro-L-Leu-Gly-NH2
Formula: C43H65N11O13S2
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COMPUTED DESCRIPTORS

Molecular Weight 1008.2 g/mol
XLogP3 -2.3
Hydrogen Bond Donor Count 12
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 17
Exact Mass 1007.42047352 g/mol
Monoisotopic Mass 1007.42047352 g/mol
Topological Polar Surface Area 444 Ų
Heavy Atom Count 69
Formal Charge 0
Complexity 1870
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes