AG003O5U

65391-42-6 | Bestatin hydrochloride

AG003O5U

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CAS Number	65391-42-6
Catalog Number	AG003O5U(AGN-PC-0TGI1P)
Chemical Name	Bestatin hydrochloride
EC Number	613-790-2
IUPAC Name	(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid;hydrochloride
InChI	InChI=1S/C16H24N2O4.ClH/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11;/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22);1H/t12-,13+,14+;/m1./s1
InChI Key	XGDFITZJGKUSDK-UDYGKFQRSA-N
MDL Number	MFCD00058004
Molecular Formula	C16H25ClN2O4
Molecular Weight	344.8337
SMILES	CC(C)C[C@@H](C(O)=O)NC([C@@H](O)[C@H](N)CC1=CC=CC=C1)=O.Cl
Synonyms	Bestatin hydrochloride, 65391-42-6, Bestatin (hydrochloride), N-[(2S,3R)-3-Amino-2-hydroxy-4-phenylbutyryl]-L-leucine hydrochloride, MFCD00058004, Ubenimex hydrochloride, SR-01000075724, NCGC00093685-01, BESTATIN HCL, Bestatin monohydrochloride, C16H24N2O4.HCl, BIMI2137, CHEMBL538595, SCHEMBL3880484, HY-B0134A, ZX-AFC000603, Tox21_500214, AKOS030526173, API0001675, CCG-207863, CS-1911, LP00214, Bestatin hydrochloride, >=98% (HPLC), NCGC00260899-01, AB0020587, B4000, EU-0100214, FT-0622881, V1527, B 8385, M01391, C-46075, SR-01000075724-1, SR-01000075724-2, SR-01000075724-6, (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-4-methylpentanoic acid hydrochloride, Bestatin, [(2S,3R)-3-Amino-2-hydroxy-4-phenylbutanoyl]-L-leucine hydrochloride, Ubenimex, Ubenimex HCl, BESTATINHYDROCHLORIDE, (-)-Bestatin hydrochloride, C16-H24-N2-O4.Cl-H, CID11957481, 1600S, A8621, EU-0100469, B-2270, L-Leucine, A-(3-amino-2-hydroxy-1-oxo-4-phenylbutyl)-, monohydrochloride, (S-(R*,S*))-, 58970-76-6,

Complexity	367
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	344.15g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	344.836g/mol
Monoisotopic Mass	344.15g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number