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88473-90-9

88473-90-9 | L-Leucine, L-leucyl-L-threonyl-L-valyl-L-alanyl-L-lysyl-

CAS No: 88473-90-9 Catalog No: AG004AG6 MDL No:

Product Description

Catalog Number:
AG004AG6
Chemical Name:
L-Leucine, L-leucyl-L-threonyl-L-valyl-L-alanyl-L-lysyl-
CAS Number:
88473-90-9
Molecular Formula:
C30H57N7O8
Molecular Weight:
643.8157
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C30H57N7O8/c1-15(2)13-20(32)26(40)37-24(19(8)38)29(43)36-23(17(5)6)28(42)33-18(7)25(39)34-21(11-9-10-12-31)27(41)35-22(30(44)45)14-16(3)4/h15-24,38H,9-14,31-32H2,1-8H3,(H,33,42)(H,34,39)(H,35,41)(H,36,43)(H,37,40)(H,44,45)/t18-,19+,20-,21-,22-,23-,24-/m0/s1
InChI Key:
RPKDZPABORWVFN-IWMXCVPLSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CC(C)C)N)C

Properties

Complexity:
991  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
643.427g/mol
Formal Charge:
0
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
643.827g/mol
Monoisotopic Mass:
643.427g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
255A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1  

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