AG003903

103365-47-5 | (S)-N-Boc-3-Amino-3-phenylpropanoic acid

AG003903

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CAS Number	103365-47-5
Catalog Number	AG003903(AGN-PC-0OSE8H)
Chemical Name	(S)-N-Boc-3-Amino-3-phenylpropanoic acid
IUPAC Name	(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI	InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(9-12(16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChI Key	JTNQFJPZRTURSI-NSHDSACASA-N
MDL Number	MFCD01860892
Molecular Formula	C14H19NO4
Molecular Weight	265.3050
SMILES	C(=O)(OC(C)(C)C)N[C@@H](CC(=O)O)C1=CC=CC=C1
Synonyms	103365-47-5, (S)-N-Boc-3-Amino-3-phenylpropanoic acid, (S)-3-((tert-Butoxycarbonyl)amino)-3-phenylpropanoic acid, Boc-(S)-3-Amino-3-phenylpropionic acid, (S)-3-N-Boc-Amino-beta-phenylalanine, MFCD01860892, (S)-BOC-BETA3-PHENYLALANINE, BOC-S--phenylalanine, (3S)-3-[(tert-butoxycarbonyl)amino]-3-phenylpropanoic acid, Boc-D--phenylalanine, Boc-D-beta-Phe-OH, PubChem17294, BOC-S-ss-phenylalanine, Boc-D-beta-phenylalanine, SCHEMBL46367, BICR121, AC1MC196, (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid, DTXSID60370332, JTNQFJPZRTURSI-NSHDSACASA-N, ZINC2385777, AN-061, ANW-14896, AB10105, CX52977, RTR-000805, (S)-3-phenyl-3-Bocaminopropanoic acid, KS-00001G21, (S)-3-Bocamino-3-phenyl-propionic acid, AC-22060, AJ-35179, AS-37064, BBV-38259720, Q704, SC-52856, (S)-3-(Boc-amino)-3-phenylpropionic acid, AB0017757, AX8017344, TR-000805, Boc-D-beta-Phe-OH, >=98.0% (HPLC), ST24036071, ST50307424, Y-9418, 365B475, I14-3462, J-000949, (3S)-N-(tert-Butoxycarbonyl)-3-phenyl-beta-alanine, I14-34014, (3S)-3-(tert-butoxycarbonylamino)-3-phenyl-propanoic acid, (3S)-3-[(tert-butoxy)carbonylamino]-3-phenylpropanoic acid, (3S)-3-[(tert-butoxycarbonyl)amino]-3-phenylpropionic acid, (3S)-3-[tert-butoxycarbonylamino]-3-phenylpropionic acid, (S)-3-(TERT-BUTOXYCARBONYLAMINO)-3-PHENYLPROPANOIC ACID, (S)-N-TERT-BUTOXYCARBONYL-3-AMINO-3-PHENYLPROPANOIC ACID, 103365-86-2, C14H19NO4, ACN-025949, CB11773, CID2734490, Boc-D-beta-Phe-OH, 98% - 1G 1g, (S)-3-((tert-Butoxycarbonyl)amino)-3-phenylpropanoicacid, 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic Acid, Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaS)-,

Complexity	316
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	265.131g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	265.309g/mol
Monoisotopic Mass	265.131g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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