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867198-40-1

867198-40-1 | L-Glutamine, L-tyrosylglycyl-L-arginyl-L-lysyl-L-lysyl-L-arginyl-L-arginyl-

CAS No: 867198-40-1 Catalog No: AG004T24 MDL No:

Product Description

Catalog Number:
AG004T24
Chemical Name:
L-Glutamine, L-tyrosylglycyl-L-arginyl-L-lysyl-L-lysyl-L-arginyl-L-arginyl-
CAS Number:
867198-40-1
Molecular Formula:
C46H82N20O11
Molecular Weight:
1091.2707
IUPAC Name:
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C46H82N20O11/c47-19-3-1-8-30(62-38(71)29(10-5-21-57-44(51)52)61-36(69)25-60-37(70)28(49)24-26-13-15-27(67)16-14-26)39(72)63-31(9-2-4-20-48)40(73)64-32(11-6-22-58-45(53)54)41(74)65-33(12-7-23-59-46(55)56)42(75)66-34(43(76)77)17-18-35(50)68/h13-16,28-34,67H,1-12,17-25,47-49H2,(H2,50,68)(H,60,70)(H,61,69)(H,62,71)(H,63,72)(H,64,73)(H,65,74)(H,66,75)(H,76,77)(H4,51,52,57)(H4,53,54,58)(H4,55,56,59)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
InChI Key:
BHWLTFLRBLMUNC-NXBWRCJVSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)CCCNC(=N)N

Properties

Complexity:
1970  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
1090.647g/mol
Formal Charge:
0
Heavy Atom Count:
77  
Hydrogen Bond Acceptor Count:
17  
Hydrogen Bond Donor Count:
19  
Isotope Atom Count:
0
Molecular Weight:
1091.291g/mol
Monoisotopic Mass:
1090.647g/mol
Rotatable Bond Count:
40  
Topological Polar Surface Area:
576A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-9.2  

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