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138191-81-8 | 3-(2-pyridyldithio)propionylarginylmonoiodotyrosine
CAS No: 138191-81-8 Catalog No: AG00A95W MDL No:
Product Description
Catalog Number:
AG00A95W
Chemical Name:
3-(2-pyridyldithio)propionylarginylmonoiodotyrosine
CAS Number:
138191-81-8
IUPAC Name:
(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-2-[[4-hydroxy-3-(pyridin-2-yldisulfanyl)phenyl]methyl]-3-oxopentanoic acid
InChI:
InChI=1S/C23H29IN6O5S2/c1-2-18(32)23(21(34)35,30(24)20(33)15(25)6-5-11-29-22(26)27)13-14-8-9-16(31)17(12-14)36-37-19-7-3-4-10-28-19/h3-4,7-10,12,15,31H,2,5-6,11,13,25H2,1H3,(H,34,35)(H4,26,27,29)/t15-,23+/m0/s1
InChI Key:
FMSYFOODEYUCOD-NPMXOYFQSA-N
Properties
Complexity:
821
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
660.069g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
660.546g/mol
Monoisotopic Mass:
660.069g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
249A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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