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247255-14-7

247255-14-7 | L-Lysine, L-methionyl-L-valyl-L-isoleucyl-L-isoleucyl-L-threonyl-L-threonyl- (9CI)

CAS No: 247255-14-7 Catalog No: AG002P8K MDL No:

Product Description

Catalog Number:
AG002P8K
Chemical Name:
L-Lysine, L-methionyl-L-valyl-L-isoleucyl-L-isoleucyl-L-threonyl-L-threonyl- (9CI)
CAS Number:
247255-14-7
Molecular Formula:
C36H68N8O10S
Molecular Weight:
805.0377
IUPAC Name:
(2S)-6-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid
InChI:
InChI=1S/C36H68N8O10S/c1-10-19(5)26(41-31(48)25(18(3)4)40-30(47)23(38)15-17-55-9)32(49)42-27(20(6)11-2)33(50)43-29(22(8)46)35(52)44-28(21(7)45)34(51)39-24(36(53)54)14-12-13-16-37/h18-29,45-46H,10-17,37-38H2,1-9H3,(H,39,51)(H,40,47)(H,41,48)(H,42,49)(H,43,50)(H,44,52)(H,53,54)/t19-,20-,21+,22+,23-,24-,25-,26-,27-,28-,29-/m0/s1
InChI Key:
MXZMUWRUBZHJIK-JUFTVGGWSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)N[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)[C@H](O)C)[C@H](O)C)[C@H](CC)C)[C@H](CC)C)C(C)C)N

Properties

Complexity:
1260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
11  
Defined Bond Stereocenter Count:
0
Exact Mass:
804.478g/mol
Formal Charge:
0
Heavy Atom Count:
55  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
805.046g/mol
Monoisotopic Mass:
804.478g/mol
Rotatable Bond Count:
27  
Topological Polar Surface Area:
330A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  

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