AG003SQV

2566-23-6 | N-BENZOYL-L-TYROSINE

AG003SQV

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CAS Number	2566-23-6
Catalog Number	AG003SQV(AGN-PC-0O8BQH)
Chemical Name	N-BENZOYL-L-TYROSINE
IUPAC Name	(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
InChI	InChI=1S/C16H15NO4/c18-13-8-6-11(7-9-13)10-14(16(20)21)17-15(19)12-4-2-1-3-5-12/h1-9,14,18H,10H2,(H,17,19)(H,20,21)/t14-/m0/s1
InChI Key	KUUUDPTUEOKITK-AWEZNQCLSA-N
MDL Number	MFCD01321140
Molecular Formula	C16H15NO4
Molecular Weight	285.2946
SMILES	O=C(O)[C@@H](NC(C1=CC=CC=C1)=O)CC2=CC=C(O)C=C2
Synonyms	N-benzoyl-DL-tyrosine, N-benzoyl-L-tyrosine, N-benzoyltyrosine, N-Benzoyl-L-tyrosine, 2566-23-6, N-Benzoyltyrosine, (S)-2-Benzamido-3-(4-hydroxyphenyl)propanoic acid, L-Tyrosine, N-benzoyl-, BENZOYLTYROSINE, CHEBI:90091, (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid, N-Benzoyl-DL-tyrosine, Bz-Tyr-OH, Bz-L-Tyr-OH, PubChem12077, CHEMBL22581, AC1L45I9, SCHEMBL3404637, CTK1A2682, DTXSID60180357, ZINC2574744, ANW-25782, MFCD01321140, ACM2566236, KS-000015T1, AJ-42262, AX8143411, TC-114527, V1427, 566B236, A817957, C16H15NO4, C16-H15-N-O4, CID151021, N-benzoyl-L-tyrosil-DI-N-Propylamide, B1911,

Complexity	357
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	285.1g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	285.299g/mol
Monoisotopic Mass	285.1g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	86.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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

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