AG002A2Z

205445-56-3 | D-Phenylalanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]-

AG002A2Z

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CAS Number	205445-56-3
Catalog Number	AG002A2Z(AGN-PC-0QVAAD)
Chemical Name	D-Phenylalanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]-
IUPAC Name	(2R)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-5-4-6-11(7-10)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChI Key	FDQDHMZKOPOWFE-GFCCVEGCSA-N
MDL Number	MFCD00797561
Molecular Formula	C15H18N2O4
Molecular Weight	290.3144
SMILES	O=C(O)[C@H](NC(OC(C)(C)C)=O)CC1=CC=CC(C#N)=C1
Synonyms	205445-56-3, Boc-D-Phe(3-CN)-OH, Boc-D-3-Cyanophenylalanine, Boc-3-cyano-D-phenylalanine, Boc-D-3-Cyanophe, (R)-2-((tert-Butoxycarbonyl)amino)-3-(3-cyanophenyl)propanoic acid, MFCD00797561, (2R)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, AK163624, AC1ODUIY, AC1Q1MTK, Boc-D-3-CN-Phe-OH, Boc-D-3-Cyano phenylalanine, KSC913M8F, SCHEMBL5067241, CTK8B3682, DTXSID90427323, FDQDHMZKOPOWFE-GFCCVEGCSA-N, ZINC2569508, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(3-cyanophenyl)propanoic acid, ANW-42939, CB-751, AKOS015836552, AC-9890, AM82768, RTR-009587, (R)-N-BOC-3-3CYANOPHENYLALANINE, PS-12031, AX8019278, TR-009587, FT-0658648, K-5983, 445B563, Boc-D-Phe(3-CN)-OH, >=98.0% (HPLC), J-013400, D-Phenylalanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]-, (2R)-2-(tert-butoxycarbonylamino)-3-(3-cyanophenyl)propanoic acid, (2R)-2-(tert-butoxycarbonylamino)-3-(3-cyanophenyl)propionic acid, (R)-2-(tert-butoxycarbonylamino)-3-(3-cyanophenyl)propanoic acid, (2R)-3-(3-cyanophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, CID7021063, 3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,

Complexity	433
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	290.127g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	290.319g/mol
Monoisotopic Mass	290.127g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	99.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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