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197375-71-6

197375-71-6 | L-Lysine, L-isoleucyl-L-arginyl-L-leucyl-L-arginyl-L-prolylglycylglycyl-L-lysyl-

CAS No: 197375-71-6 Catalog No: AG002ASC MDL No:

Product Description

Catalog Number:
AG002ASC
Chemical Name:
L-Lysine, L-isoleucyl-L-arginyl-L-leucyl-L-arginyl-L-prolylglycylglycyl-L-lysyl-
CAS Number:
197375-71-6
Molecular Formula:
C45H85N17O10
Molecular Weight:
1024.2643
IUPAC Name:
(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]hexanoic acid
InChI:
InChI=1S/C45H85N17O10/c1-5-27(4)36(48)41(69)58-29(15-10-20-53-44(49)50)38(66)61-32(23-26(2)3)39(67)59-30(16-11-21-54-45(51)52)42(70)62-22-12-17-33(62)40(68)56-24-34(63)55-25-35(64)57-28(13-6-8-18-46)37(65)60-31(43(71)72)14-7-9-19-47/h26-33,36H,5-25,46-48H2,1-4H3,(H,55,63)(H,56,68)(H,57,64)(H,58,69)(H,59,67)(H,60,65)(H,61,66)(H,71,72)(H4,49,50,53)(H4,51,52,54)/t27-,28-,29-,30-,31-,32-,33-,36-/m0/s1
InChI Key:
JFYYQRRITKNSSM-GVCDGELBSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)N)CCCNC(=N)N)CC(C)C)CCCNC(=N)N

Properties

Complexity:
1830  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
1023.667g/mol
Formal Charge:
0
Heavy Atom Count:
72  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
15  
Isotope Atom Count:
0
Molecular Weight:
1024.284g/mol
Monoisotopic Mass:
1023.667g/mol
Rotatable Bond Count:
36  
Topological Polar Surface Area:
468A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.7  

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