AG002V79

2901-76-0 | Benzoyl-DL-Phenylalanine

AG002V79

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CAS Number	2901-76-0
Catalog Number	AG002V79(AGN-PC-0WAS6O)
Chemical Name	Benzoyl-DL-Phenylalanine
IUPAC Name	2-benzamido-3-phenylpropanoic acid
InChI	InChI=1S/C16H15NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)(H,19,20)
InChI Key	NPKISZUVEBESJI-UHFFFAOYSA-N
MDL Number	MFCD00037252
Molecular Formula	C16H15NO3
Molecular Weight	269.2952
SMILES	O=C(O)C(NC(C1=CC=CC=C1)=O)CC2=CC=CC=C2
Synonyms	2901-76-0, Benzoyl-dl-phenylalanine, 2-benzamido-3-phenylpropanoic acid, N-Benzoyl-dl-phenylalanine, Bz-DL-Phe-OH, N-Benzoylphenylalanine, 3-phenyl-2-(phenylformamido)propanoic acid, CHEBI:90419, NPKISZUVEBESJI-UHFFFAOYSA-N, N-(phenylcarbonyl)phenylalanine, N-Benzoylphenylalanine #, Phenylalanine, N-benzoyl-, 3-phenyl-2-(phenylcarbonylamino)propanoic acid, MFCD00037252, Phenylalanine,N-benzoyl-, ACMC-1CH3Z, AC1L6T1S, NCIOpen2_007081, N-Benzoyl-D,L-Phenylalanine, Oprea1_754356, MLS000048365, ARONIS24268, CHEMBL67572, SCHEMBL111235, AC1Q71P6, AC1Q71P7, CTK4G2579, N-BENZOYL-DL-PHENYLANALINE, HMS1659K12, HMS2288N06, ALBB-010582, NSC96354, ANW-26526, BBL014468, NSC-96354, NSC118532, NSC167264, SBB007643, STK078967, 2-Benzoylamino-3-phenylpropionic acid, AKOS000273933, AKOS016040290, 2J-369S, FR-0030, MCULE-5396317201, NSC-118532, NSC-167264, VZ31327, KS-000016D0, KS-0000472E, 2-(benzoylamino)-3-phenylpropanoic acid, 2-(benzoylamino)-3-phenylpropionic acid, AK-81165, SMR000062385, AB0020526, DB-022600, TR-012702, B0302, FT-0634543, ST24027772, ST45025269, V1425, VU0509001-1, K-7130, J-017354, Z85881058, F3095-4679, 93059-41-7, N-Benzoyl-l-phenylalanine, qvy1r&mvr, Benzoylphenylalanine, N-Benzoyl-D-phenylalanine, L-Phenylalanine, N-benzoyl-, C16H15NO3, 2-Benzamido-3-phenylpropanoicacid, AR-1L3021, CID273362, ACN-033481, 2566-22-5, 25834-70-2, 37002-52-1,

Complexity	331
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.105g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	269.3g/mol
Monoisotopic Mass	269.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number