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823179-44-8 | Subtilisin Inhibitor I
CAS No: 823179-44-8 Catalog No: AG01FL5P MDL No:
Product Description
Catalog Number:
AG01FL5P
Chemical Name:
Subtilisin Inhibitor I
CAS Number:
823179-44-8
IUPAC Name:
[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino] benzoate
InChI:
InChI=1S/C18H25N3O6/c1-11(20-17(25)26-18(3,4)5)14(22)19-12(2)15(23)21-27-16(24)13-9-7-6-8-10-13/h6-12H,1-5H3,(H,19,22)(H,20,25)(H,21,23)/t11-,12-/m0/s1
InChI Key:
LCNQRTLVYUSFIG-RYUDHWBXSA-N
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
379.174g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
379.413g/mol
Monoisotopic Mass:
379.174g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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