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162739-49-3 | Hydrazinecarboxylic acid, 2-([1,1'-biphenyl]-4-ylmethyl)-2-[2-hydroxy-4-phenyl-3-[[(phenylmethoxy)carbonyl]amino]butyl]-, 1,1-dimethylethyl ester, [S-(R*,R*)]- (9CI)
CAS No: 162739-49-3 Catalog No: AG001TDF MDL No:
Product Description
Catalog Number:
AG001TDF
Chemical Name:
Hydrazinecarboxylic acid, 2-([1,1'-biphenyl]-4-ylmethyl)-2-[2-hydroxy-4-phenyl-3-[[(phenylmethoxy)carbonyl]amino]butyl]-, 1,1-dimethylethyl ester, [S-(R*,R*)]- (9CI)
CAS Number:
162739-49-3
IUPAC Name:
benzyl N-[(2S,3S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]-[(4-phenylphenyl)methyl]amino]-1-phenylbutan-2-yl]carbamate
InChI:
InChI=1S/C36H41N3O5/c1-36(2,3)44-35(42)38-39(24-28-19-21-31(22-20-28)30-17-11-6-12-18-30)25-33(40)32(23-27-13-7-4-8-14-27)37-34(41)43-26-29-15-9-5-10-16-29/h4-22,32-33,40H,23-26H2,1-3H3,(H,37,41)(H,38,42)/t32-,33-/m0/s1
InChI Key:
DEAPYPIDXOPCID-LQJZCPKCSA-N
Properties
Complexity:
837
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
595.305g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
595.74g/mol
Monoisotopic Mass:
595.305g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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