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823233-51-8

823233-51-8 | L-Isoleucine, L-methionyl-L-lysyl-L-isoleucyl-L-lysyl-

CAS No: 823233-51-8 Catalog No: AG005E0Y MDL No:

Product Description

Catalog Number:
AG005E0Y
Chemical Name:
L-Isoleucine, L-methionyl-L-lysyl-L-isoleucyl-L-lysyl-
CAS Number:
823233-51-8
Molecular Formula:
C29H57N7O6S
Molecular Weight:
631.8712
IUPAC Name:
(2S,3S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid
InChI:
InChI=1S/C29H57N7O6S/c1-6-18(3)23(35-26(38)21(12-8-10-15-30)33-25(37)20(32)14-17-43-5)28(40)34-22(13-9-11-16-31)27(39)36-24(29(41)42)19(4)7-2/h18-24H,6-17,30-32H2,1-5H3,(H,33,37)(H,34,40)(H,35,38)(H,36,39)(H,41,42)/t18-,19-,20-,21-,22-,23-,24-/m0/s1
InChI Key:
FOVNYYKFGGJIEZ-LQDRYOBXSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)CCCCN)[C@H](CC)C)NC(=O)[C@H](CCSC)N

Properties

Complexity:
865  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
631.409g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
631.878g/mol
Monoisotopic Mass:
631.409g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
257A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5  

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