AG003OFK

143415-62-7 | (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(tert-butyl)phenyl)propanoic acid

AG003OFK

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CAS Number	143415-62-7
Catalog Number	AG003OFK(AGN-PC-0O2N3H)
Chemical Name	(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(tert-butyl)phenyl)propanoic acid
IUPAC Name	(2S)-3-(4-tert-butylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C18H27NO4/c1-17(2,3)13-9-7-12(8-10-13)11-14(15(20)21)19-16(22)23-18(4,5)6/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21)/t14-/m0/s1
InChI Key	NGWQIBYYDHXJJR-AWEZNQCLSA-N
MDL Number	MFCD02094432
Molecular Formula	C18H27NO4
Molecular Weight	321.4113
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1=CC=C(C(C)(C)C)C=C1
Synonyms	143415-62-7, (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(tert-butyl)phenyl)propanoic acid, BOC-L-4-TERT-BUTYL-PHE, Boc-L-4-tert-Butylphenylalanine, Boc-4-tert-butyl-Phe-OH, Boc-4-tert-butyl-L-phenylalanine, Boc-L-4-tert-butyl-phenylalanine, (2S)-2-(tert-butoxycarbonylamino)-3-(4-tert-butylphenyl)propanoic acid, (2S)-3-(4-tert-butylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (2S)-2-(tert-butoxycarbonylamino)-3-(4-tert-butylphenyl)propionic acid, (2S)-3-(4-tert-butylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, BOC-4-T-BUTYL-L-PHENYLALANINE, Boc-L-(4-tBu)Phe-OH, BOC-L-4-TBU-PHE-OH, AC1MC524, SCHEMBL4004856, CTK8B9018, ZINC2389705, ZX-AT014646, 7037AA, ANW-61828, MFCD02094432, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(4-tert-butylphenyl)propanoic acid, AKOS015911937, AB10895, AM82726, BL389-1, CB-1276, OR14622, Boc-4-tert-butyl-Phe-OH, >=98.0%, AC-25345, AJ-35607, AN-31572, PS-12158, AX8031922, RT-021650, 415B627, J-505265, I14-37379, I14-52347, (S)-2-(tert-butoxycarbonylamino)-3-(4-tert-butylphenyl)propanoic acid, N-[(1,1-dimethylethoxy)carbonyl]-4-(1,1-dimethylethyl)-L-phenylalanine, C18H27NO4, CID2761485, 2-[(tert-butoxycarbonyl)amino]-3-(4-tert-butylphenyl)propanoic acid, (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(tert-butyl)phenyl)propanoicacid, 2-((tert-Butoxycarbonyl)amino)-3-(4-(tert-butyl)phenyl)propanoic acid, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-tert-butylphenyl)propanoic Acid, 250611-12-2,

Complexity	412
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	321.194g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	321.417g/mol
Monoisotopic Mass	321.194g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number