200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 821791-99-5
821791-99-5 | L-Leucine, N-[[2-[(4-sulfophenyl)sulfonyl]ethoxy]carbonyl]-
CAS No: 821791-99-5 Catalog No: AG0050M2 MDL No:
Product Description
Catalog Number:
AG0050M2
Chemical Name:
L-Leucine, N-[[2-[(4-sulfophenyl)sulfonyl]ethoxy]carbonyl]-
CAS Number:
821791-99-5
Molecular Formula:
C15H21NO9S2
Molecular Weight:
423.4585
IUPAC Name:
(2S)-4-methyl-2-[2-(4-sulfophenyl)sulfonylethoxycarbonylamino]pentanoic acid
InChI:
InChI=1S/C15H21NO9S2/c1-10(2)9-13(14(17)18)16-15(19)25-7-8-26(20,21)11-3-5-12(6-4-11)27(22,23)24/h3-6,10,13H,7-9H2,1-2H3,(H,16,19)(H,17,18)(H,22,23,24)/t13-/m0/s1
InChI Key:
BKWHSKTZZNQASM-ZDUSSCGKSA-N
SMILES:
CC(C[C@@H](C(=O)O)NC(=O)OCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)O)C
Properties
Complexity:
711
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
423.066g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
423.451g/mol
Monoisotopic Mass:
423.066g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.