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Home Amines 1042405-14-0
1042405-14-0
Catalog No.:AA01EPJ1

1042405-14-0 | N-(2-aminobenzoyl)-L-valyl-L-alanyl-L-α-aspartyl-L-norvalyl-L-arginyl-L-α-aspartyl-L-arginyl-N1-[2-[(2,4-dinitrophenyl)amino]ethyl]-L-glutamamide

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Technical Information
Catalog Number:
AA01EPJ1
Chemical Name:
N-(2-aminobenzoyl)-L-valyl-L-alanyl-L-α-aspartyl-L-norvalyl-L-arginyl-L-α-aspartyl-L-arginyl-N1-[2-[(2,4-dinitrophenyl)amino]ethyl]-L-glutamamide
CAS Number:
1042405-14-0
Molecular Formula:
C53H80N20O18
Molecular Weight:
1285.3255
SMILES:
CCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCC(=O)N)CCCNC(=N)N)CC(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)c1ccccc1N)C)CC(=O)O
Properties
Computed Properties
 
Complexity:
2610  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Heavy Atom Count:
91  
Hydrogen Bond Acceptor Count:
22  
Hydrogen Bond Donor Count:
18  
Rotatable Bond Count:
39  
XLogP3:
-2.5  

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SDS
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Tags:1042405-14-0 Molecular Formula|1042405-14-0 MDL|1042405-14-0 SMILES|1042405-14-0 N-(2-aminobenzoyl)-L-valyl-L-alanyl-L-α-aspartyl-L-norvalyl-L-arginyl-L-α-aspartyl-L-arginyl-N1-[2-[(2,4-dinitrophenyl)amino]ethyl]-L-glutamamide