(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenyl


Chemical Name: (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenyl
CAS Number: 104486-69-3
Product Number: AG008RS6(AGN-PC-073HHM)
Synonyms:
MDL No:
Molecular Formula: C27H41N5O5S
Molecular Weight: 547.7099

Identification/Properties


Computed Properties
Molecular Weight:
1387.715g/mol
XLogP3:
-1.6
Hydrogen Bond Donor Count:
14
Hydrogen Bond Acceptor Count:
17
Rotatable Bond Count:
41
Exact Mass:
1386.759g/mol
Monoisotopic Mass:
1386.759g/mol
Topological Polar Surface Area:
536A^2
Heavy Atom Count:
98
Formal Charge:
0
Complexity:
2750
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
11
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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