AG000ZMP

131724-45-3 | Boc-l-4-cyanophenylalanine

AG000ZMP

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CAS Number	131724-45-3
Catalog Number	AG000ZMP(AGN-PC-0WACNP)
Chemical Name	Boc-l-4-cyanophenylalanine
IUPAC Name	(2S)-3-(4-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)8-10-4-6-11(9-16)7-5-10/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChI Key	RMBLTLXJGNILPG-LBPRGKRZSA-N
MDL Number	MFCD00672526
Molecular Formula	C15H18N2O4
Molecular Weight	290.3144
SMILES	C(=O)(OC(C)(C)C)N[C@@H](CC1=CC=C(C=C1)C#N)C(=O)O
Synonyms	131724-45-3, Boc-Phe(4-CN)-OH, Boc-L-4-Cyanophenylalanine, Boc-4-cyano-L-phenylalanine, (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-cyanophenyl)propanoic acid, Boc-L-4-Cyanophe, Boc-4-cyano-Phe-OH, (S)-N-Boc-4-Cyanophenylalanine, MFCD00672526, (2S)-3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, B-4700, L-Phenylalanine, 4-cyano-N-[(1,1-dimethylethoxy)carbonyl]-, (2S)-3-(4-cyanophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, Boc-L-4-CN-Phe-OH, N-Boc-4-cyanophenylalanine, AK-57676, AC1ODU11, Boc-p-cyano-L-phenylalanine, Boc-L-4-Cyano phenylalanine, KSC925C6H, (N-Boc)-4-cyanophenylalanine, AMGLY00093, N-Boc-4-cyano-L-phenylalanine, SCHEMBL1350138, CTK8C5163, KS-00000HPP, DTXSID70427301, RMBLTLXJGNILPG-LBPRGKRZSA-N, ZINC2567679, rac N-Boc-3-(p-cyanophenyl)alanine, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(4-cyanophenyl)propanoic acid, ANW-74385, CB-479, SBB063884, AKOS015836542, AKOS015889754, AC-9893, AM82776, BL240-1, CS-W008561, RTR-004342, AJ-41452, AS-14667, SC-10587, N-t-butoxycarbonyl-4-cyano-l-phenylalanine, AB0015058, AX8016025, TL8000753, TL8006176, FT-0643156, Boc-Phe(4-CN)-OH, >=98.0% (TLC), N-(tert-Butoxycarbonyl)-4-cyano-L-phenylalanine, 724B453, A806302, C-18212, N-alpha-t-Butyloxycarbonyl-4-cyano-L-phenylalanine, (S)-2-(t-butoxycarbonylamino)-3-(4-cyanophenyl)propionic acid, (2S)-2-(tert-butoxycarbonylamino)-3-(4-cyanophenyl)propanoic acid, (2S)-2-(tert-butoxycarbonylamino)-3-(4-cyanophenyl)propionic acid, (S)-2-(tert-butoxycarbonylamino)-3-(4-cyanophenyl)propanoic acid, (2S)-2-[(tert-butoxy)carbonylamino]-3-(4-cyanophenyl)propanoic acid, (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-cyanophenyl)propanoic acid, Boc-D-4-Cyanophenylalanine, Boc-Orn(2-Cl-Z)-OH, -N-Boc-4-Cyanophenylalanine, C15H18N2O4, ACN-034015, CID7020841, M105, B4877, B-7110, 146727-62-0, (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-cyanophenyl)propanoicacid, 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 118554-00-0,

Complexity	425
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	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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