(2S)-2-[[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-methylsulfonyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-pheny


Chemical Name: (2S)-2-[[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-methylsulfonyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-pheny
CAS Number: 110880-55-2
Product Number: AG00838V(AGN-PC-00CPLG)
Synonyms:
MDL No: MFCD00076787
Molecular Formula: C24H39N5O6S
Molecular Weight: 525.6614

Identification/Properties


Computed Properties
Molecular Weight:
1393.675g/mol
XLogP3:
-3.4
Hydrogen Bond Donor Count:
14
Hydrogen Bond Acceptor Count:
18
Rotatable Bond Count:
42
Exact Mass:
1392.734g/mol
Monoisotopic Mass:
1392.734g/mol
Topological Polar Surface Area:
553A^2
Heavy Atom Count:
98
Formal Charge:
0
Complexity:
2880
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
10
Undefined Atom Stereocenter Count:
0
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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