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390800-88-1 | 2-PyrazinecarboxaMide, N,N',N''-[2,4,6-boroxintriyltris[[(1R)-3-Methylbutylidene]iMino[(1S)-2-oxo-1-(phenylMethyl)-2,1-ethanediyl]]]tris-
CAS No: 390800-88-1 Catalog No: AG00CKLF MDL No:
Product Description
Catalog Number:
AG00CKLF
Chemical Name:
2-PyrazinecarboxaMide, N,N',N''-[2,4,6-boroxintriyltris[[(1R)-3-Methylbutylidene]iMino[(1S)-2-oxo-1-(phenylMethyl)-2,1-ethanediyl]]]tris-
CAS Number:
390800-88-1
IUPAC Name:
N-[(2S)-1-[[(1R)-1-[4,6-bis[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]-1,3,5,2,4,6-trioxatriborinan-2-yl]-3-methylbutyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
InChI:
InChI=1S/C57H69B3N12O9/c1-37(2)28-49(70-52(73)43(31-40-16-10-7-11-17-40)67-55(76)46-34-61-22-25-64-46)58-79-59(50(29-38(3)4)71-53(74)44(32-41-18-12-8-13-19-41)68-56(77)47-35-62-23-26-65-47)81-60(80-58)51(30-39(5)6)72-54(75)45(33-42-20-14-9-15-21-42)69-57(78)48-36-63-24-27-66-48/h7-27,34-39,43-45,49-51H,28-33H2,1-6H3,(H,67,76)(H,68,77)(H,69,78)(H,70,73)(H,71,74)(H,72,75)/t43-,44-,45-,49-,50-,51-/m0/s1
InChI Key:
YVBHFXUJMLXLKP-INZJBPCBSA-N
UNII:
264LX948L0
Properties
Complexity:
1740
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
1098.559g/mol
Formal Charge:
0
Heavy Atom Count:
81
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
1098.684g/mol
Monoisotopic Mass:
1098.559g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
280A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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