AG000WPQ

127132-32-5 | (S)-Ethyl 3-(4-(benzyloxy)phenyl)-2-(tert-butoxycarbonylamino)propanoate

AG000WPQ

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CAS Number	127132-32-5
Catalog Number	AG000WPQ(AGN-PC-0PII19)
Chemical Name	(S)-Ethyl 3-(4-(benzyloxy)phenyl)-2-(tert-butoxycarbonylamino)propanoate
IUPAC Name	ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate
InChI	InChI=1S/C23H29NO5/c1-5-27-21(25)20(24-22(26)29-23(2,3)4)15-17-11-13-19(14-12-17)28-16-18-9-7-6-8-10-18/h6-14,20H,5,15-16H2,1-4H3,(H,24,26)
InChI Key	YDXKVARHPPUWMG-UHFFFAOYSA-N
MDL Number	MFCD09833943
Molecular Formula	C23H29NO5
Molecular Weight	399.4801
SMILES	O=C(OCC)[C@@H](NC(OC(C)(C)C)=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1
Synonyms	Ethyl 3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate, 127132-32-5, KS-00000NAG, AK-56028, DS-14925,

Complexity	502
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	399.205g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	399.487g/mol
Monoisotopic Mass	399.205g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	73.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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