AG001RKX

159990-12-2 | Boc-(s)-3-amino-3-(4-methoxy-phenyl)-propionic acid

AG001RKX

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CAS Number	159990-12-2
Catalog Number	AG001RKX(AGN-PC-0Q7RKK)
Chemical Name	Boc-(s)-3-amino-3-(4-methoxy-phenyl)-propionic acid
IUPAC Name	(3S)-3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-13(17)18)10-5-7-11(20-4)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI Key	OPAAZWPTEYZZIW-LBPRGKRZSA-N
MDL Number	MFCD03427900
Molecular Formula	C15H21NO5
Molecular Weight	295.3309
SMILES	O=C(O)C[C@H](NC(OC(C)(C)C)=O)C1=CC=C(OC)C=C1
Synonyms	159990-12-2, (S)-3-((tert-Butoxycarbonyl)amino)-3-(4-methoxyphenyl)propanoic acid, Boc-(S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid, BOC-BETA-(S)-4-METHOXYPHENYLALANINE, (S)-Boc-4-methoxy-|A-Phe-OH, (S)-Boc-4-methoxy-beta-Phe-OH, Boc-?-Phe(4-Ome)-OH, AK-60158, boc-b-phe(4-ome)-oh, AC1LZ2C2, Boc-D-|A-Tyr(Me)-OH, Boc-O-methyl-D-|A-tyrosine, (s)-boc-4-methoxy-ss-phe-oh, Boc-(S)-3-Amino-3-(4-methoxyphenyl)-propionic acid, boc-4-methoxy-l-b-phenylalanine, (s)-boc-4-methoxy-bera-phe-oh, CTK8C4443, KS-00000LPZ, DTXSID80365689, (3S)-3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, Boc-4-methoxy-D-|A-phenylalanine, Boc-4-methoxy-D-beta-phenylalanine, ZINC2324862, ANW-71967, MFCD03427900, AB15129, CB-1376, Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methoxy-, (betaS)-, NCGC00020527-01, NCGC00020527-02, AC-25437, AJ-34522, BBV-38259716, DS-16379, SC-92679, AX8049142, RT-024305, ST24036072, Z5672, K-5017, 990B122, J-009663, (S)-3-(Boc-amino)-3-(4-methoxyphenyl)propionic acid, (S)-3-(tert-butoxycarbonylamino)-3-(4-methoxypheny, (S)-Boc-4-methoxy-beta-Phe-OH, >=98.0% (HPLC), (3S)-3-[(tert-Butoxycarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid, MLS000078210, C15H21NO5, ACN-025979, CID1939767, (S)-3-((tert-Butoxycarbonyl)amino)-3-(4-methoxyphenyl)propanoicacid, 500788-87-4,

Complexity	356
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	295.142g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	295.335g/mol
Monoisotopic Mass	295.142g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	84.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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