AG002XRH

2922-83-0 | Benzenebutanoic acid, α,2-diamino-γ-oxo-, (αS)-

AG002XRH

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CAS Number	2922-83-0
Catalog Number	AG002XRH(AGN-PC-0R4WCB)
Chemical Name	Benzenebutanoic acid, α,2-diamino-γ-oxo-, (αS)-
IUPAC Name	(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
InChI	InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
InChI Key	YGPSJZOEDVAXAB-QMMMGPOBSA-N
MDL Number	MFCD00069912
Molecular Formula	C10H12N2O3
Molecular Weight	208.2139
SMILES	O=C(O)[C@@H](N)CC(C1=CC=CC=C1N)=O
UNII	02JW4J5R44
Synonyms	L-kynurenine, 2922-83-0, (S)-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid, Kynurenine, L-, 3-Anthraniloyl-L-alanine, (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, UNII-02JW4J5R44, CCRIS 4425, CHEBI:16946, YGPSJZOEDVAXAB-QMMMGPOBSA-N, 02JW4J5R44, K-9020, Quinurenine, Kynurenin, Benzenebutanoic acid, alpha,2-diamino-gamma-oxo-, (alphaS)-, (S)-alpha,2-Diamino-gamma-oxobenzenebutanoic acid, 3-anthraniloyl-alanine, L-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid, L-2-Amino-4-[2-Aminophenyl]-4-Oxobutanoic Acid, 16055-80-4, L-KynurenineHydrate, KYN, DL-Kynureninefree base, 2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid #, L-Kynurenine, free base, AC1L4OXD, AC1Q5FJU, bmse000172, SCHEMBL20875, 3-(2-aminobenzoyl)-L-alanine, CHEMBL498416, CTK0H5033, BIB6088, ZX-AFC000220, Benzenebutanoic acid, .alpha.,2-diamino-.gamma.-oxo-, (S)-, KUC106759N, ZINC895186, L-Kynurenine, >=98% (HPLC), BCP20697, KS-000015AP, ANW-73159, BN0849, MFCD00069912, AKOS016843487, ACN-034131, DB02070, RTR-012755, NCGC00163345-01, AJ-24153, AK106116, CS-13161, KSC-11-228-1, LS-29336, SC-21749, alpha,2-diamino-gamma-oxo-Benzenebutanoate, AB0011601, AB1007102, AX8033079, HY-104026, CS-0022016, FT-0084703, FT-0627925, K0016, alpha,2-diamino-gamma-oxo-Benzenebutanoic acid, C00328, M-2121, A819827, C-53119, I01-8400, (S)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoate, UNII-298M20B2AU component YGPSJZOEDVAXAB-QMMMGPOBSA-N, (2S)-4-(2-aminophenyl)-2-azanyl-4-oxidanylidene-butanoic acid, (alphaS)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoate, (S)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoic acid, (alphaS)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoic acid, L-2-AMINO-3-(2-AMINOBENZOYL)PROPIONIC ACID L-2-AMINO-4-[2-AMINOPHENYL]-4-OXOBUTANOIC ACID L-KYNURENINE L-kynurenine free base, kynurenine, dl-Kynurenine, 3-Anthraniloylalanine, 3-hydroxy-L-kynurenine, C10H12N2O3, AR-1J2895, AR-1J2896, CID161166, 3-(3-Hydroxyanthraniloyl)-L-alanine, A8612, L-2-Amino-3-(2-aminobenzoyl)propionic acid, (S)-2-Amino-4-(2-aminophenyl)-4-oxobutanoicacid, |A-Anthraniloyl-L-alanine; L-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid, 343-65-7, 39028-64-3, 39029-41-9,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	208.085g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	208.217g/mol
Monoisotopic Mass	208.085g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	106A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number