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Home > Thiazole > 1820581-17-6
1820581-17-6 | N-{[2-(1H-Pyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl}-L-isoleucine
CAS No: 1820581-17-6 Catalog No: AG01B5Z1 MDL No:MFCD22371975
Product Description
Catalog Number:
AG01B5Z1
Chemical Name:
N-{[2-(1H-Pyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl}-L-isoleucine
CAS Number:
1820581-17-6
MDL Number:
MFCD22371975
IUPAC Name:
3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]pentanoic acid
InChI:
InChI=1S/C18H19N3O3S/c1-3-11(2)15(17(23)24)20-16(22)12-6-7-13-14(10-12)25-18(19-13)21-8-4-5-9-21/h4-11,15H,3H2,1-2H3,(H,20,22)(H,23,24)
InChI Key:
FDTBTRVZDPUVFT-UHFFFAOYSA-N
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.115g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.428g/mol
Monoisotopic Mass:
357.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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