AG002DSR

189619-55-4 | Benzenepropanoic acid, α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, (αS)-

AG002DSR

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CAS Number	189619-55-4
Catalog Number	AG002DSR(AGN-PC-0QJ2LH)
Chemical Name	Benzenepropanoic acid, α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, (αS)-
IUPAC Name	(2S)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-10-12(13(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI Key	ZYCITKXROAFBAR-LBPRGKRZSA-N
MDL Number	MFCD07372495
Molecular Formula	C15H21NO4
Molecular Weight	279.3315
SMILES	C(C1=CC=CC=C1)[C@H](C(=O)O)CNC(=O)OC(C)(C)C
Synonyms	189619-55-4, (S)-2-benzyl-3-(tert-butoxycarbonylamino)propanoic acid, (S)-2-Benzyl-3-((tert-butoxycarbonyl)amino)propanoic acid, Boc-(S)-3-amino-2-benzylpropanoic acid, (2S)-2-BENZYL-3-[(TERT-BUTOXYCARBONYL)AMINO]PROPANOIC ACID, (2S)-2-benzyl-3-{[(tert-butoxy)carbonyl]amino}propanoic acid, (2S)-2-benzyl-3-(tert-butoxycarbonylamino)propanoic acid, (2S)-2-(tert-Butoxycarbonylamino)methyl-3-phenylpropanoic acid, AK-37790, BENZENEPROPANOIC ACID, ALPHA-[[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]METHYL]-, (ALPHAS)-, (S)-2-BENZYL-3-(BOC-AMINO)PROPIONIC ACID, SCHEMBL3825012, (2S)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (S)-2-benzyl-3-(tert-butoxycarbonylamino)propanoicacid, CTK4E0175, DTXSID20426703, ZINC2505653, ZX-AT012923, 6382AD, 9878AA, ANW-72472, MFCD07372495, AB34727, CB-2758, OR40213, BOC-(S)-BETA2-HOMOPHENYLALANINE, KS-0000056R, ACM189619554, AJ-36065, AN-30460, DS-12800, SC-50364, AX8163752, DB-011767, RT-005410, TL8007296, (3S)-N-Boc-3-amino-2-benzylpropionic acid, CS-0053441, FT-0770897, ST24036030, (S)-2-Benzyl-3-(N-Boc-amino)propanoic acid, 301B382, (R)-2-Benzyl-3-((tert-butoxycarbonyl)amino)propano, (2S)-3-Amino-2-benzylpropanoic acid, N-BOC protected, (2S)-2-benzyl-3-(tert-butoxycarbonylamino)propionic acid, (S)-2-((tert-butoxycarbonyl)methyl)-3-phenylpropanoic acid, (S)-2-[(BOC-AMINO)METHYL]-3-PHENYLPROPIONIC ACID, (S)-2-[(Boc-amino)methyl]-3-phenylpropionic acid, 97%, (S)-alpha-(tert-Butoxycarbonylaminomethyl)hydrocinnamic acid, (2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-phenyl-propanoic acid, (2S)-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-phenylpropanoic acid, 4-isobutoxybenzaldehyde, C15H21NO4, C11H14O2, ACN-026039, CID7014954, (r,s)-boc-3-amino-2-benzyl-propionic acid, A4187, 262301-38-2, (2R)-2-Benzyl-3-[(tert-butoxycarbonyl)-amino]propanoic acid, (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 26250-90-8, 18962-07-7,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	279.147g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	279.336g/mol
Monoisotopic Mass	279.147g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

Lot Number