AG00ID3B

80102-25-6 | D-Phenylalanine, 3-chloro-N-[(1,1-dimethylethoxy)carbonyl]-

AG00ID3B

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CAS Number	80102-25-6
Catalog Number	AG00ID3B(AGN-PC-0OIC98)
Chemical Name	D-Phenylalanine, 3-chloro-N-[(1,1-dimethylethoxy)carbonyl]-
IUPAC Name	(2R)-3-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChI Key	RCZHBTHQISEPPP-LLVKDONJSA-N
MDL Number	MFCD00672516
Molecular Formula	C14H18ClNO4
Molecular Weight	299.7500
SMILES	O=C(O)[C@@H](CC1=CC=CC(Cl)=C1)NC(OC(C)(C)C)=O
Synonyms	80102-25-6, Boc-D-phe(3-Cl)-OH, Boc-3-chloro-D-phenylalanine, (R)-N-Boc-3-chlorophenylalanine, Boc-D-3-Chlorophe, (R)-2-((tert-Butoxycarbonyl)amino)-3-(3-chlorophenyl)propanoic acid, AK-50136, J-300383, D-Phenylalanine, 3-chloro-N-[(1,1-dimethylethoxy)carbonyl]-, (R)-2-(tert-butoxycarbonylamino)-3-(3-chlorophenyl)propanoic acid, (2R)-3-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, N-(tert-Butoxycarbonyl)-D-3-chlorophenylalanine, Boc-D-3-Chlorophenylalanine, AC1ODTZV, PubChem18601, Boc-D-3-Chloro phenylalanine, SCHEMBL3553561, N-Boc-3-chloro-D-phenylalanine, CTK7G8793, DTXSID40427297, RCZHBTHQISEPPP-LLVKDONJSA-N, KS-00000KR3, ZINC2567669, ZX-AT014488, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(3-chlorophenyl)propanoic acid, ANW-74486, CB-734, KM2011, MFCD00672516, AKOS015836554, AC-9876, AM82745, OR14545, RTR-025387, VZ36665, AJ-41445, CC-31669, DS-15341, AX8034976, DB-001128, TR-062067, FT-0651967, M03178, Boc-D-Phe(3-Cl)-OH, >=98.0% (HPLC), N-(tert-butoxycarbonyl)-3-chloro-D-phenylalanine, (R)-3,4-Difluorophenylalanine Hydrochloride Salt, 102B256, C-35266, N-alpha-t-Butyloxycarbonyl-D-3-chlorophenylalanine, N-TERT-BUTOXYCARBONYL-D-3-CHLORO PHENYLALANINE, (2R)-2-(tert-butoxycarbonylamino)-3-(3-chlorophenyl)propanoic acid, (2R)-2-(tert-butoxycarbonylamino)-3-(3-chlorophenyl)propionic acid, (R)-2-(tert-butoxycarbonylamino)-3-(3- chlorophenyl)propanoic acid, (R)-2-tert-Butoxycarbonylamino-3-(3-chloro-phenyl)-propionic acid, (2R)-3-(3-chlorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, -N-BOC-3-Chlorophenylalanine, Boc-D-Phe(3-Cl)-OH - 5G 5g, CB11722, CB11723, CID7020827, A7470, 3-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 114873-03-9,

Complexity	354
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	299.092g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	299.751g/mol
Monoisotopic Mass	299.092g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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