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188016-51-5 | METHYL N-(BUTOXYCARBONYL)-3-{[(5R)-3-(4-CYANOPHENYL)-4,5-DIHYDROISOXAZOL-5-YL]ACETAMIDO}-L-ALANINATE
CAS No: 188016-51-5 Catalog No: AG00BB08 MDL No:
Product Description
Catalog Number:
AG00BB08
Chemical Name:
METHYL N-(BUTOXYCARBONYL)-3-{[(5R)-3-(4-CYANOPHENYL)-4,5-DIHYDROISOXAZOL-5-YL]ACETAMIDO}-L-ALANINATE
CAS Number:
188016-51-5
IUPAC Name:
methyl (2R)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate
InChI:
InChI=1S/C21H26N4O6/c1-3-4-9-30-21(28)24-18(20(27)29-2)13-23-19(26)11-16-10-17(25-31-16)15-7-5-14(12-22)6-8-15/h5-8,16,18H,3-4,9-11,13H2,1-2H3,(H,23,26)(H,24,28)/t16-,18-/m1/s1
InChI Key:
FTQRLUOLHGFRQY-SJLPKXTDSA-N
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
430.185g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
430.461g/mol
Monoisotopic Mass:
430.185g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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