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173094-28-5 | Carbamic acid, [[2-hydroxy-1,4-bis(phenylmethyl)-1,4-butanediyl]bis(iminocarbonyl-2,1-phenylene)]bis-, bis(2-pyridinylmethyl) ester, [1S-(1R*,2R*,4R*)]- (9CI)
CAS No: 173094-28-5 Catalog No: AG001YLL MDL No:
Product Description
Catalog Number:
AG001YLL
Chemical Name:
Carbamic acid, [[2-hydroxy-1,4-bis(phenylmethyl)-1,4-butanediyl]bis(iminocarbonyl-2,1-phenylene)]bis-, bis(2-pyridinylmethyl) ester, [1S-(1R*,2R*,4R*)]- (9CI)
CAS Number:
173094-28-5
IUPAC Name:
pyridin-2-ylmethyl N-[2-[[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-[[2-(pyridin-2-ylmethoxycarbonylamino)benzoyl]amino]hexan-2-yl]carbamoyl]phenyl]carbamate
InChI:
InChI=1S/C46H44N6O7/c53-42(41(28-33-17-5-2-6-18-33)50-44(55)38-22-8-10-24-40(38)52-46(57)59-31-35-20-12-14-26-48-35)29-36(27-32-15-3-1-4-16-32)49-43(54)37-21-7-9-23-39(37)51-45(56)58-30-34-19-11-13-25-47-34/h1-26,36,41-42,53H,27-31H2,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t36-,41-,42-/m0/s1
InChI Key:
PKBPUJCUWPCIQB-XGXWMDOZSA-N
Properties
Complexity:
1290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
792.327g/mol
Formal Charge:
0
Heavy Atom Count:
59
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
792.893g/mol
Monoisotopic Mass:
792.327g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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