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573671-91-7,MFCD08704513
Catalog No.:AA00EB0O

573671-91-7 | BOMBINAKININ-GAP

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Technical Information
Catalog Number:
AA00EB0O
Chemical Name:
BOMBINAKININ-GAP
CAS Number:
573671-91-7
Molecular Formula:
C145H219N39O39S3
Molecular Weight:
3228.7233
MDL Number:
MFCD08704513
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)C)CCC2)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)C(C)C)Cc1c[nH]c2c1cccc2)[C@H](CC)C)[C@H](CC)C)CCCNC(=N)N)Cc1nc[nH]c1)C)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCSC)Cc1ccc(cc1)O)CCC(=O)O)CCCCN)CCC(=O)N)Cc1ccc(cc1)O
Properties
Computed Properties
 
Complexity:
7540  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
30  
Heavy Atom Count:
226  
Hydrogen Bond Acceptor Count:
47  
Hydrogen Bond Donor Count:
40  
Rotatable Bond Count:
86  
XLogP3:
-11.5  

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Tags:573671-91-7 Molecular Formula|573671-91-7 MDL|573671-91-7 SMILES|573671-91-7 BOMBINAKININ-GAP