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846024-41-7

846024-41-7 | L-Asparagine, L-glutaminyl-L-lysyl-L-lysyl-L-phenylalanyl-L-lysyl-

CAS No: 846024-41-7 Catalog No: AG004QAE MDL No:

Product Description

Catalog Number:
AG004QAE
Chemical Name:
L-Asparagine, L-glutaminyl-L-lysyl-L-lysyl-L-phenylalanyl-L-lysyl-
CAS Number:
846024-41-7
Molecular Formula:
C36H61N11O9
Molecular Weight:
791.9378
IUPAC Name:
(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C36H61N11O9/c37-17-7-4-12-24(43-31(50)23(40)15-16-29(41)48)32(51)44-25(13-5-8-18-38)33(52)46-27(20-22-10-2-1-3-11-22)35(54)45-26(14-6-9-19-39)34(53)47-28(36(55)56)21-30(42)49/h1-3,10-11,23-28H,4-9,12-21,37-40H2,(H2,41,48)(H2,42,49)(H,43,50)(H,44,51)(H,45,54)(H,46,52)(H,47,53)(H,55,56)/t23-,24-,25-,26-,27-,28-/m0/s1
InChI Key:
RUXXHWPIBHDEPT-QUQVWLGBSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)CCCCN)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCCCN

Properties

Complexity:
1280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
791.465g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
791.952g/mol
Monoisotopic Mass:
791.465g/mol
Rotatable Bond Count:
30  
Topological Polar Surface Area:
373A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.1  

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