AG002EE1

190190-49-9 | 1-Naphthalenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-

AG002EE1

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CAS Number	190190-49-9
Catalog Number	AG002EE1(AGN-PC-0QJI8Q)
Chemical Name	1-Naphthalenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-
IUPAC Name	(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-1-ylbutanoic acid
InChI	InChI=1S/C19H23NO4/c1-19(2,3)24-18(23)20-15(12-17(21)22)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10,15H,11-12H2,1-3H3,(H,20,23)(H,21,22)/t15-/m1/s1
InChI Key	JXDXPRAUFACOHG-OAHLLOKOSA-N
MDL Number	MFCD01076281
Molecular Formula	C19H23NO4
Molecular Weight	329.3902
SMILES	O=C(O)C[C@H](NC(OC(C)(C)C)=O)CC2=C1C=CC=CC1=CC=C2
Synonyms	190190-49-9, (R)-3-((tert-butoxycarbonyl)amino)-4-(naphthalen-1-yl)butanoic acid, Boc-(R)-3-Amino-4-(1-naphenyl)butanoic acid, (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-1-ylbutanoic acid, Boc-D-?-Homoala(1-naphthyl)-OH, AC1ODVNA, (R)-3-(Boc-amino)-4-(1-naphthyl)butyric acid, ZINC2572728, CB-810, MFCD01076281, AKOS025401553, VC30170, 1-Naphthalenebutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaR)-, AC-22116, AK188105, PS-12044, SC-53280, FT-0643795, C-19981, (3R)-3-(tert-butoxycarbonylamino)-4-(1-naphthyl)butanoic acid, (3R)-3-(tert-butoxycarbonylamino)-4-(1-naphthyl)butyric acid, (R)-3-(tert-butoxycarbonylamino)-4-(naphthalen-1-yl)butanoic acid, (3R)-3-[(tert-butoxycarbonyl)amino]-4-(naphthalen-1-yl)butanoic acid, (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-1-yl-butanoic acid, (3R)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(1-naphthalenyl)butanoic acid, Boc-(R)-3-Amino-4-(1-naphthyl)-butyric acid, CID7021575, Boc-(R)-3-Amino-4-(1-naphenyl)butanoicacid, 1-Naphthalenebutanoicacid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-,(bR)-, (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-1-yl-butanoic Acid,

Complexity	443
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	329.163g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	329.396g/mol
Monoisotopic Mass	329.163g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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