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Home > Boronic Acids > 915283-88-4
915283-88-4 | Boronic acid, B-[1-(N-acetyl-L-threonylglycyl)-2-pyrrolidinyl]-
CAS No: 915283-88-4 Catalog No: AG0069MF MDL No:
Product Description
Catalog Number:
AG0069MF
Chemical Name:
Boronic acid, B-[1-(N-acetyl-L-threonylglycyl)-2-pyrrolidinyl]-
CAS Number:
915283-88-4
Molecular Formula:
C12H22BN3O6
Molecular Weight:
315.1306
IUPAC Name:
[1-[2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]acetyl]pyrrolidin-2-yl]boronic acid
InChI:
InChI=1S/C12H22BN3O6/c1-7(17)11(15-8(2)18)12(20)14-6-10(19)16-5-3-4-9(16)13(21)22/h7,9,11,17,21-22H,3-6H2,1-2H3,(H,14,20)(H,15,18)/t7-,9?,11+/m1/s1
InChI Key:
JEYUNIOTAPWACH-DLSRMIIKSA-N
SMILES:
CC(=O)N[C@H](C(=O)NCC(=O)N1CCCC1B(O)O)[C@H](O)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
315.16g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
315.133g/mol
Monoisotopic Mass:
315.16g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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