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164984-84-3 | L-Tyrosine, L-threonyl-L-seryl-L-lysyl-
CAS No: 164984-84-3 Catalog No: AG001V73 MDL No:
Product Description
Catalog Number:
AG001V73
Chemical Name:
L-Tyrosine, L-threonyl-L-seryl-L-lysyl-
CAS Number:
164984-84-3
Molecular Formula:
C22H35N5O8
Molecular Weight:
497.5420
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C22H35N5O8/c1-12(29)18(24)21(33)27-17(11-28)20(32)25-15(4-2-3-9-23)19(31)26-16(22(34)35)10-13-5-7-14(30)8-6-13/h5-8,12,15-18,28-30H,2-4,9-11,23-24H2,1H3,(H,25,32)(H,26,31)(H,27,33)(H,34,35)/t12-,15+,16+,17+,18+/m1/s1
InChI Key:
JJIQXUOABSKMIJ-QNHTTWNFSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)CO
Properties
Complexity:
701
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
497.249g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
497.549g/mol
Monoisotopic Mass:
497.249g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
237A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.4
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