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233610-84-9

233610-84-9 | L-Lysine, L-prolyl-L-threonyl-L-threonyl-L-threonyl-L-prolyl-L-leucyl- (9CI)

CAS No: 233610-84-9 Catalog No: AG002MYP MDL No:

Product Description

Catalog Number:
AG002MYP
Chemical Name:
L-Lysine, L-prolyl-L-threonyl-L-threonyl-L-threonyl-L-prolyl-L-leucyl- (9CI)
CAS Number:
233610-84-9
Molecular Formula:
C34H60N8O11
Molecular Weight:
756.8872
IUPAC Name:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]hexanoic acid
InChI:
InChI=1S/C34H60N8O11/c1-17(2)16-23(29(47)37-22(34(52)53)10-6-7-13-35)38-30(48)24-12-9-15-42(24)33(51)27(20(5)45)41-32(50)26(19(4)44)40-31(49)25(18(3)43)39-28(46)21-11-8-14-36-21/h17-27,36,43-45H,6-16,35H2,1-5H3,(H,37,47)(H,38,48)(H,39,46)(H,40,49)(H,41,50)(H,52,53)/t18-,19-,20-,21+,22+,23+,24+,25+,26+,27+/m1/s1
InChI Key:
JFKXEQWOGUQOTP-FYUGKPBRSA-N
SMILES:
NCCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1)CC(C)C

Properties

Complexity:
1290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
756.438g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
756.899g/mol
Monoisotopic Mass:
756.438g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
302A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.3  

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