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760176-26-9,MFCD08277638
Catalog No.:AA01EPTI

760176-26-9 | D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-cyclic(2→7)-disulfide,L-cysteinamide,monoacetate

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Technical Information
Catalog Number:
AA01EPTI
Chemical Name:
D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-cyclic(2→7)-disulfide,L-cysteinamide,monoacetate
CAS Number:
760176-26-9
Molecular Formula:
C51H70N10O12S2
Molecular Weight:
1079.2913
MDL Number:
MFCD08277638
SMILES:
CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O.CC(=O)O
Properties
Computed Properties
 
Complexity:
1780  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Heavy Atom Count:
75  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
14  
Rotatable Bond Count:
17  
Undefined Atom Stereocenter Count:
7  

Literature
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SDS
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Tags:760176-26-9 Molecular Formula|760176-26-9 MDL|760176-26-9 SMILES|760176-26-9 D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-cyclic(2→7)-disulfide,L-cysteinamide,monoacetate