AG003TZE

187324-66-9 | Propionic acid (1r,2s)-2-[n-benzyl-n-(mesitylenesulfonyl)amino]-1-phenylpropyl ester

AG003TZE

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CAS Number	187324-66-9
Catalog Number	AG003TZE(AGN-PC-0QGFGV)
Chemical Name	Propionic acid (1r,2s)-2-[n-benzyl-n-(mesitylenesulfonyl)amino]-1-phenylpropyl ester
IUPAC Name	[(1R,2S)-2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-phenylpropyl] propanoate
InChI	InChI=1S/C28H33NO4S/c1-6-26(30)33-27(25-15-11-8-12-16-25)23(5)29(19-24-13-9-7-10-14-24)34(31,32)28-21(3)17-20(2)18-22(28)4/h7-18,23,27H,6,19H2,1-5H3/t23-,27-/m0/s1
InChI Key	WNCDSLPLRUHTTL-HOFKKMOUSA-N
MDL Number	MFCD02093490
Molecular Formula	C28H33NO4S
Molecular Weight	479.6309
SMILES	CCC(=O)O[C@@H]([C@H](C)N(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc1
Synonyms	187324-66-9, (1R,2S)-2-(N-Benzyl-2,4,6-trimethylphenylsulfonamido)-1-phenylpropyl propionate, Propionic Acid (1R,2S)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Ester, Propionic Acid (1R,2S)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Ester [Reagent for anti-selective asymmetric aldol reaction], SCHEMBL17053684, CTK8B3218, DTXSID60458200, ZINC2576982, ANW-41997, MFCD02093490, RTR-008662, KS-000012G2, AK202214, TR-008662, P1371, J-012057, (1R,2S)-N-Benzyl-N-(mesitylenesulfonyl)-O-propionylnorephedrine, (1R,2S)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Propionate, Propanoic acid (1R,2S)-1-phenyl-2-(benzylmesitylsulfonylamino)propyl ester, (1R,2S)-2-[Benzyl(2,4,6-trimethylbenzene-1-sulfonyl)amino]-1-phenylpropyl propanoate, (1R,2S)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Propionate [Reagent for anti-selective asymmetric aldol reaction], (1R,2S)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropylPropionate[Reagentforanti-selectiveasymmetricaldolreaction], Propionic Acid (1R,2S)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Ester [Reagent for anti-selective asymmetric aldol reaction], WNCDSLPLRUHTTL-HOFKKMOUSA-N, CID11190801, (1r,2s)-2-[n-benzyl-n-(mesitylenesulfonyl)amino]-1-phenylpropylpropionate, [(1S,2S)-2-[benzyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-1-phenyl-propyl] Propanoate,

Complexity	724
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	479.213g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	479.635g/mol
Monoisotopic Mass	479.213g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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