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192657-87-7

192657-87-7 | L-Lysine, L-lysyl-L-leucyl-L-leucyl-L-leucyl-L-lysyl-L-leucyl-L-leucyl-L-leucyl- (9CI)

CAS No: 192657-87-7 Catalog No: AG002G6S MDL No:

Product Description

Catalog Number:
AG002G6S
Chemical Name:
L-Lysine, L-lysyl-L-leucyl-L-leucyl-L-leucyl-L-lysyl-L-leucyl-L-leucyl-L-leucyl- (9CI)
CAS Number:
192657-87-7
Molecular Formula:
C54H104N12O10
Molecular Weight:
1081.4780
IUPAC Name:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
InChI:
InChI=1S/C54H104N12O10/c1-31(2)25-40(61-46(67)37(58)19-13-16-22-55)50(71)65-44(29-35(9)10)52(73)63-41(26-32(3)4)48(69)59-38(20-14-17-23-56)47(68)62-43(28-34(7)8)51(72)66-45(30-36(11)12)53(74)64-42(27-33(5)6)49(70)60-39(54(75)76)21-15-18-24-57/h31-45H,13-30,55-58H2,1-12H3,(H,59,69)(H,60,70)(H,61,67)(H,62,68)(H,63,73)(H,64,74)(H,65,71)(H,66,72)(H,75,76)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
InChI Key:
HWOJWZNPHGPSOL-NVAZTIMOSA-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)CCCCN)CC(C)C)CC(C)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CC(C)C)CC(C)C)CC(C)C

Properties

Complexity:
1780  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
1080.8g/mol
Formal Charge:
0
Heavy Atom Count:
76  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
1081.5g/mol
Monoisotopic Mass:
1080.8g/mol
Rotatable Bond Count:
41  
Topological Polar Surface Area:
374A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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