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1606994-55-1

1606994-55-1 | L-Phenylalaninamide, D-arginyl-2,6-dimethyl-L-tyrosyl-L-lysyl-, 2,2,2-trifluoroacetate (1:1)

CAS No: 1606994-55-1 Catalog No: AG001S4M MDL No:

Product Description

Catalog Number:
AG001S4M
Chemical Name:
L-Phenylalaninamide, D-arginyl-2,6-dimethyl-L-tyrosyl-L-lysyl-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1606994-55-1
Molecular Formula:
C34H50F3N9O7
Molecular Weight:
753.8121
IUPAC Name:
6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)hexanamide;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C32H49N9O5.C2HF3O2/c1-19-15-22(42)16-20(2)23(19)18-27(41-29(44)24(34)11-8-14-38-32(36)37)31(46)39-25(12-6-7-13-33)30(45)40-26(28(35)43)17-21-9-4-3-5-10-21;3-2(4,5)1(6)7/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,45)(H,41,44)(H4,36,37,38);(H,6,7)
InChI Key:
WLZHRKGRZBGUJU-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NCCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)[C@H](Cc1c(C)cc(cc1C)O)NC(=O)[C@@H](CCCNC(=N)N)N

Properties

Complexity:
1070  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
753.379g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
753.825g/mol
Monoisotopic Mass:
753.379g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
304A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0

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