AG007SS6

1859-49-0 | Benzyl-L-isoleucine

AG007SS6

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CAS Number	1859-49-0
Catalog Number	AG007SS6(AGN-PC-0O5GT1)
Chemical Name	Benzyl-L-isoleucine
IUPAC Name	(2S,3S)-2-(benzylamino)-3-methylpentanoic acid
InChI	InChI=1S/C13H19NO2/c1-3-10(2)12(13(15)16)14-9-11-7-5-4-6-8-11/h4-8,10,12,14H,3,9H2,1-2H3,(H,15,16)/t10-,12-/m0/s1
InChI Key	GPAVORZIWQTJJQ-JQWIXIFHSA-N
MDL Number	MFCD00038331
Molecular Formula	C13H19NO2
Molecular Weight	221.2955
SMILES	C(O)(=O)[C@H]([C@@H](C)CC)NCC1=CC=CC=C1
Synonyms	BZL-ILE-OH, 1859-49-0, n-benzyl-l-isoleucine, N-benzyl-isoleucine, Benzyl-L-isoleucine, (2S,3S)-2-(benzylamino)-3-methylpentanoic acid, benzylisoleucine, AC1ODWUQ, SCHEMBL5658130, CTK8F8081, DTXSID40426402, GPAVORZIWQTJJQ-JQWIXIFHSA-N, L-Isoleucine, N-(phenylmethyl)-, CS-M2901, ZINC1726740, MFCD00038331, AKOS026357474, KS-00001F06, AS-49211, FT-0773959, V3971, K-5600, benzoyl-L-isoleucine, C13H19NO2, NSC142291, CID6994933,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	221.142g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.3g/mol
Monoisotopic Mass	221.142g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

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

Lot Number