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Home Other Building Blocks 80469-10-9
80469-10-9
Catalog No.:AA00GJB2

80469-10-9 | Polymyxin Ile-B1

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  • Technical Information
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Technical Information
Catalog Number:
AA00GJB2
Chemical Name:
Polymyxin Ile-B1
CAS Number:
80469-10-9
Molecular Formula:
C56H98N16O13
Molecular Weight:
1203.4767
SMILES:
NCC[C@@H](C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)Cc1ccccc1)[C@H](CC)C)CCN)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)CCCCC(CC)C)CCN
Properties
Computed Properties
 
Complexity:
2160  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
13  
Heavy Atom Count:
85  
Hydrogen Bond Acceptor Count:
18  
Hydrogen Bond Donor Count:
18  
Rotatable Bond Count:
29  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-2.5  

Literature
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SDS
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Tags:80469-10-9 Molecular Formula|80469-10-9 MDL|80469-10-9 SMILES|80469-10-9 Polymyxin Ile-B1