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286465-27-8

286465-27-8 | L-Lysine, L-prolyl-L-tyrosyl-L-leucyl-L-lysyl-L-threonyl-

CAS No: 286465-27-8 Catalog No: AG002VZ1 MDL No:

Product Description

Catalog Number:
AG002VZ1
Chemical Name:
L-Lysine, L-prolyl-L-tyrosyl-L-leucyl-L-lysyl-L-threonyl-
CAS Number:
286465-27-8
Molecular Formula:
C36H60N8O9
Molecular Weight:
748.9098
IUPAC Name:
(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid
InChI:
InChI=1S/C36H60N8O9/c1-21(2)19-28(42-34(50)29(20-23-12-14-24(46)15-13-23)43-31(47)25-11-8-18-39-25)33(49)40-26(9-4-6-16-37)32(48)44-30(22(3)45)35(51)41-27(36(52)53)10-5-7-17-38/h12-15,21-22,25-30,39,45-46H,4-11,16-20,37-38H2,1-3H3,(H,40,49)(H,41,51)(H,42,50)(H,43,47)(H,44,48)(H,52,53)/t22-,25+,26+,27+,28+,29+,30+/m1/s1
InChI Key:
LDYMBOJBXKVJLH-CSJNAZMVSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)Cc1ccc(cc1)O)CC(C)C

Properties

Complexity:
1180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
748.448g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
748.923g/mol
Monoisotopic Mass:
748.448g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
287A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2  

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