Home Amines 1926163-82-7
1926163-82-7
Catalog No.:AA01EPX2

1926163-82-7 | 1-[2-(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]-L-prolyl-L-leucyl-L-alanyl-S-[(4-methoxyphenyl)methyl]-L-cysteinyl-L-tryptophyl-L-alanyl-L-arginyl-3-[(2,4-dinitrophenyl)amino]-L-alaninamide

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Technical Information
Catalog Number:
AA01EPX2
Chemical Name:
1-[2-(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]-L-prolyl-L-leucyl-L-alanyl-S-[(4-methoxyphenyl)methyl]-L-cysteinyl-L-tryptophyl-L-alanyl-L-arginyl-3-[(2,4-dinitrophenyl)amino]-L-alaninamide
CAS Number:
1926163-82-7
Molecular Formula:
C66H82N16O17S
Molecular Weight:
1403.5193
SMILES:
COc1ccc(cc1)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCCNC(=N)N)C)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cc(=O)oc2c1ccc(c2)OC)CC(C)C)C
Properties
Computed Properties
 
Complexity:
2940  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Heavy Atom Count:
100  
Hydrogen Bond Acceptor Count:
20  
Hydrogen Bond Donor Count:
12  
Rotatable Bond Count:
34  
XLogP3:
3.6  

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Tags:1926163-82-7 Molecular Formula|1926163-82-7 MDL|1926163-82-7 SMILES|1926163-82-7 1-[2-(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]-L-prolyl-L-leucyl-L-alanyl-S-[(4-methoxyphenyl)methyl]-L-cysteinyl-L-tryptophyl-L-alanyl-L-arginyl-3-[(2,4-dinitrophenyl)amino]-L-alaninamide