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847739-68-8

847739-68-8 | L-Lysine, L-lysylglycyl-L-arginylglycyl-L-lysyl-L-histidyl-

CAS No: 847739-68-8 Catalog No: AG004OMH MDL No:

Product Description

Catalog Number:
AG004OMH
Chemical Name:
L-Lysine, L-lysylglycyl-L-arginylglycyl-L-lysyl-L-histidyl-
CAS Number:
847739-68-8
Molecular Formula:
C34H63N15O8
Molecular Weight:
809.9597
IUPAC Name:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid
InChI:
InChI=1S/C34H63N15O8/c35-12-4-1-8-22(38)29(52)43-18-27(50)46-23(11-7-15-42-34(39)40)30(53)44-19-28(51)47-24(9-2-5-13-36)31(54)49-26(16-21-17-41-20-45-21)32(55)48-25(33(56)57)10-3-6-14-37/h17,20,22-26H,1-16,18-19,35-38H2,(H,41,45)(H,43,52)(H,44,53)(H,46,50)(H,47,51)(H,48,55)(H,49,54)(H,56,57)(H4,39,40,42)/t22-,23-,24-,25-,26-/m0/s1
InChI Key:
XIFXZUGOASLEFA-LROMGURASA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)Cc1nc[nH]c1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN)N)CCCNC(=N)N

Properties

Complexity:
1300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
809.498g/mol
Formal Charge:
0
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
14  
Isotope Atom Count:
0
Molecular Weight:
809.975g/mol
Monoisotopic Mass:
809.498g/mol
Rotatable Bond Count:
31  
Topological Polar Surface Area:
409A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.5  

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