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827018-99-5

827018-99-5 | L-Glutamine, L-tyrosyl-L-glutaminyl-L-tyrosyl-L-glutaminyl-L-tyrosyl-

CAS No: 827018-99-5 Catalog No: AG004WJ3 MDL No:

Product Description

Catalog Number:
AG004WJ3
Chemical Name:
L-Glutamine, L-tyrosyl-L-glutaminyl-L-tyrosyl-L-glutaminyl-L-tyrosyl-
CAS Number:
827018-99-5
Molecular Formula:
C42H53N9O13
Molecular Weight:
891.9227
IUPAC Name:
(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C42H53N9O13/c43-28(19-22-1-7-25(52)8-2-22)37(58)47-29(13-16-34(44)55)38(59)50-32(20-23-3-9-26(53)10-4-23)40(61)48-30(14-17-35(45)56)39(60)51-33(21-24-5-11-27(54)12-6-24)41(62)49-31(42(63)64)15-18-36(46)57/h1-12,28-33,52-54H,13-21,43H2,(H2,44,55)(H2,45,56)(H2,46,57)(H,47,58)(H,48,61)(H,49,62)(H,50,59)(H,51,60)(H,63,64)/t28-,29-,30-,31-,32-,33-/m0/s1
InChI Key:
OKMBAOXCEAISPU-FSJACQRISA-N
SMILES:
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CCC(=O)N)Cc1ccc(cc1)O

Properties

Complexity:
1610  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
891.376g/mol
Formal Charge:
0
Heavy Atom Count:
64  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
891.936g/mol
Monoisotopic Mass:
891.376g/mol
Rotatable Bond Count:
26  
Topological Polar Surface Area:
399A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.7  

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