AG0004RM

101555-61-7 | Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-

AG0004RM

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CAS Number	101555-61-7
Catalog Number	AG0004RM(AGN-PC-0OQQP1)
Chemical Name	Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-
IUPAC Name	(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
InChI	InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(10-13(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChI Key	ACKWQHCPHJQANL-GFCCVEGCSA-N
MDL Number	MFCD01076270
Molecular Formula	C15H21NO4
Molecular Weight	279.3315
SMILES	O=C(O)C[C@H](NC(OC(C)(C)C)=O)CC1=CC=CC=C1
Synonyms	boc-d-beta-homophenylalanine, 101555-61-7, (R)-3-tert-Butoxycarbonylamino-4-phenyl-butyric acid, (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid, (r)-3-(tert-butoxycarbonylamino)-4-phenylbutanoic acid, (R)-3-Boc-amino-4-phenylbutyric acid, boc-(r)-3-amino-4-phenylbutyric acid, (R)-3-((tert-butoxycarbonyl)amino)-4-phenylbutanoic acid, (3R)-3-(tert-butoxycarbonylamino)-4-phenyl-butanoic acid, boc-d-beta-hophe-oh, (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoic acid, (3R)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutanoic acid, AK-90330, PubChem18642, Boc-beta-D-Homophe-OH, boc-d-phe-(c*ch2)oh, AC1ODVM4, (r)-boc-b2-homophenylalanine, SCHEMBL489489, CTK8E2809, DTXSID50427389, ACKWQHCPHJQANL-GFCCVEGCSA-N, KS-00000HT0, ZINC2572719, CB-717, MFCD01076270, Benzenebutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaR)-, AC-9074, AN-7395, (r)-3-boc-amino-4-phenyl-butyric acid, Boc-D-beta-homophenylalanine, AldrichCPR, AC-22086, AJ-42080, DS-16844, Q525, AB0017643, AX8016101, DB-022778, RT-017850, TL8003431, CS-0036367, FT-0642453, ST24030197, B31650, (R)-3-t-butoxycarbonylamino-4-phenylbutyric acid, 555B617, A800404, (R)-3-(tert-Butoxycarbonylamino)-4-phenylbutyric acid, (3R)-3-(tert-butoxycarbonylamino)-4-phenyl-butyric acid, (3R)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutanoic acid, Homophenylalanine, Boc-L-beta-homophenylalanine, C15H21NO4, ACN-026027, CB11400, CID7021561, (S)-3-(Boc-amino)-4-phenylbutyric acid, (R)-3-TERT-BUTOXYCARBONYLAMINO-4-PHENYLBUTYRIC ACID, 51871-62-6, 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoic Acid,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	279.147g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	279.336g/mol
Monoisotopic Mass	279.147g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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