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Home > Boronic Acids > 233772-90-2
233772-90-2 | L-Tyrosine, 4-borono-L-phenylalanyl- (9CI)
CAS No: 233772-90-2 Catalog No: AG002N0R MDL No:
Product Description
Catalog Number:
AG002N0R
Chemical Name:
L-Tyrosine, 4-borono-L-phenylalanyl- (9CI)
CAS Number:
233772-90-2
Molecular Formula:
C18H21BN2O6
Molecular Weight:
372.1801
IUPAC Name:
(2S)-2-[[(2S)-2-amino-3-(4-boronophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C18H21BN2O6/c20-15(9-11-1-5-13(6-2-11)19(26)27)17(23)21-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,22,26-27H,9-10,20H2,(H,21,23)(H,24,25)/t15-,16-/m0/s1
InChI Key:
CEMIRTBRXOFMGZ-HOTGVXAUSA-N
SMILES:
O=C([C@H](Cc1ccc(cc1)B(O)O)N)N[C@H](C(=O)O)Cc1ccc(cc1)O
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
372.149g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
372.184g/mol
Monoisotopic Mass:
372.149g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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