AG0079MS

374816-32-7 | L-Tyrosine,N-(3-carboxy-1-oxopropyl)-

AG0079MS

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CAS Number	374816-32-7
Catalog Number	AG0079MS(AGN-PC-0O9GAN)
Chemical Name	L-Tyrosine,N-(3-carboxy-1-oxopropyl)-
IUPAC Name	4-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoic acid
InChI	InChI=1S/C13H15NO6/c15-9-3-1-8(2-4-9)7-10(13(19)20)14-11(16)5-6-12(17)18/h1-4,10,15H,5-7H2,(H,14,16)(H,17,18)(H,19,20)/t10-/m0/s1
InChI Key	ZMLAEOWQOQIWJT-JTQLQIEISA-N
MDL Number	MFCD18252486
Molecular Formula	C13H15NO6
Molecular Weight	281.2613
SMILES	O=C(O)CCC(N[C@H](C(O)=O)CC1=CC=C(O)C=C1)=O
Synonyms	N-Succinyl-L-tyrosine, 374816-32-7, L-Tyrosine,N-(3-carboxy-1-oxopropyl)-, N-(3-Carboxypropanoyl)-L-tyrosine, 4-[[(1S)-2-Hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid, Clavulanic Acid Impurity G, (S)-4-((1-Carboxy-2-(4-hydroxyphenyl)ethyl)amino)-4-oxobutanoic acid, CTK4H8264, DTXSID60432580, BBL102192, MFCD18252486, STL555991, ZINC22066547, AKOS017344778, N-(3-Carboxy-1-oxopropyl)-L-tyrosine, RT-014547, FT-0674730, (S)-4-(1-Carboxy-2-(4-hydroxyphenyl)ethylamino)-4-oxobutanoic acid, CID9900373, 3-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]propanoic Acid,

Complexity	362
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	281.09g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	281.264g/mol
Monoisotopic Mass	281.09g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	124A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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