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129931-68-6

129931-68-6 | L-Methionine, L-threonyl-L-lysyl-L-cysteinyl-L-valyl-L-isoleucyl-

CAS No: 129931-68-6 Catalog No: AG000TSA MDL No:

Product Description

Catalog Number:
AG000TSA
Chemical Name:
L-Methionine, L-threonyl-L-lysyl-L-cysteinyl-L-valyl-L-isoleucyl-
CAS Number:
129931-68-6
Molecular Formula:
C29H55N7O8S2
Molecular Weight:
693.9191
IUPAC Name:
2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C29H55N7O8S2/c1-7-16(4)23(28(42)33-19(29(43)44)11-13-46-6)36-27(41)22(15(2)3)35-25(39)20(14-45)34-24(38)18(10-8-9-12-30)32-26(40)21(31)17(5)37/h15-23,37,45H,7-14,30-31H2,1-6H3,(H,32,40)(H,33,42)(H,34,38)(H,35,39)(H,36,41)(H,43,44)
InChI Key:
OGZQIBUUZWFOLO-UHFFFAOYSA-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)CCSC)[C@H](CC)C)C(C)C)CS)NC(=O)[C@H]([C@H](O)C)N

Properties

Complexity:
1010  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
693.355g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
693.92g/mol
Monoisotopic Mass:
693.355g/mol
Rotatable Bond Count:
23  
Topological Polar Surface Area:
281A^2
Undefined Atom Stereocenter Count:
8  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3  

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