AG003KSN

104504-45-2 | L-​Phenylalanine, 4-​benzoyl-

AG003KSN

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CAS Number	104504-45-2
Catalog Number	AG003KSN(AGN-PC-0WAKJ7)
Chemical Name	L-​Phenylalanine, 4-​benzoyl-
IUPAC Name	(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid
InChI	InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
InChI Key	TVIDEEHSOPHZBR-AWEZNQCLSA-N
MDL Number	MFCD00051713
Molecular Formula	C16H15NO3
Molecular Weight	269.2952
SMILES	C(=O)(c1ccc(cc1)C[C@@H](C(=O)O)N)c1ccccc1
UNII	9RU6KQ9WYD
Synonyms	4-benzoylphenylalanine, p-benzoyl-L-phenylalanine, p-benzoylphenylalanine, p-Bpa amino acid, pBpa amino acid, 104504-45-2, L-4-Benzoylphenylalanine, (S)-2-Amino-3-(4-benzoylphenyl)propanoic acid, 4-benzoyl-l-phenylalanine, Para-(Benzoyl)-Phenylalanine, H-Bpa-OH H-Phe(4-Bz)-OH, 4-benzoylphenylalanine, H-Bpa-OH, H-p-Bz-Phe-OH, L-p-Benzoylphenylalanine, p-benzoyl-l-phenylalanine, UNII-9RU6KQ9WYD, 9RU6KQ9WYD, Phenylalanine, 4-benzoyl-, MFCD00238102, (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid, AK117086, H-L-Bpa-OH, para-Benzoyl-L-phenylalanine, SCHEMBL44097, L-Phenylalanine, 4-benzoyl-, L - 4 - Benzoylphenylalanine, BIBA1027, CTK0G6271, KS-00000GGS, TVIDEEHSOPHZBR-AWEZNQCLSA-N, 4-(phenylcarbonyl)-L-phenylalanine, 104504-39-4, ZINC2561082, AKOS015891140, AL660-1, CB-1298, CS-W000795, DB08371, DS-4812, AJ-40678, O027, SC-21107, AX8135722, RT-013208, TL8000186, ST24035967, K-0421, (S)-2-Amino-3-(4-benzoylphenyl)propionic acid, (2S)-2-amino-3-(4-benzoylphenyl)propionic acid, (S)-2-Amino-3-(4-benzoyl-phenyl)-propionic acid, I01-9263, I14-3621, (2S)-2-azanyl-3-[4-(phenylcarbonyl)phenyl]propanoic acid, PBF, D-4-Benzoylphenylalanine, D08AHA, C16H15NO3, CID7020128, 2-amino-3-(4-benzoylphenyl)propanoic Acid, 4-Benzoyl-L-phenylalanine, 95% - 1G 1g, (S)-2-Amino-3-(4-benzoylphenyl)propanoicacid, 201466-03-7,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	269.105g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
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	80.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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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