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Home > Boronic Acids > 915283-87-3
915283-87-3 | Boronic acid, B-[1-(N-acetylglycylglycyl)-2-pyrrolidinyl]-
CAS No: 915283-87-3 Catalog No: AG0069MG MDL No:
Product Description
Catalog Number:
AG0069MG
Chemical Name:
Boronic acid, B-[1-(N-acetylglycylglycyl)-2-pyrrolidinyl]-
CAS Number:
915283-87-3
Molecular Formula:
C10H18BN3O5
Molecular Weight:
271.0780
IUPAC Name:
[1-[2-[(2-acetamidoacetyl)amino]acetyl]pyrrolidin-2-yl]boronic acid
InChI:
InChI=1S/C10H18BN3O5/c1-7(15)12-5-9(16)13-6-10(17)14-4-2-3-8(14)11(18)19/h8,18-19H,2-6H2,1H3,(H,12,15)(H,13,16)
InChI Key:
KDXAKATVSAHDLD-UHFFFAOYSA-N
SMILES:
O=C(NCC(=O)N1CCCC1B(O)O)CNC(=O)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.134g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
271.08g/mol
Monoisotopic Mass:
271.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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