2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-


Chemical Name: 2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-
CAS Number: 55614-10-3
Product Number: AG00DE10(AGN-PC-00144W)
Synonyms:
MDL No:
Molecular Formula: C63H98N18O14S
Molecular Weight: 1363.6294

Identification/Properties


Computed Properties
Molecular Weight:
1363.649g/mol
XLogP3:
-2.7
Hydrogen Bond Donor Count:
16
Hydrogen Bond Acceptor Count:
18
Rotatable Bond Count:
42
Exact Mass:
1362.723g/mol
Monoisotopic Mass:
1362.723g/mol
Topological Polar Surface Area:
565A^2
Heavy Atom Count:
96
Formal Charge:
0
Complexity:
2660
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
10
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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