AG003S95

482577-59-3 | (S)-Methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate HCl

AG003S95

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CAS Number	482577-59-3
Catalog Number	AG003S95(AGN-PC-0RZ1UC)
Chemical Name	(S)-Methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate HCl
IUPAC Name	methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate;hydrochloride
InChI	InChI=1S/C20H22N2O2.ClH/c1-14(2)19(20(23)24-3)22-13-15-8-10-16(11-9-15)18-7-5-4-6-17(18)12-21;/h4-11,14,19,22H,13H2,1-3H3;1H/t19-;/m0./s1
InChI Key	AZQXUWUZQLZNIM-FYZYNONXSA-N
MDL Number	MFCD08460094
Molecular Formula	C20H23ClN2O2
Molecular Weight	358.8618
SMILES	Cl.COC([C@@H](NCC1=CC=C(C=C1)C2=C(C=CC=C2)C#N)C(C)C)=O
Synonyms	482577-59-3, (S)-Methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate hydrochloride, N-[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]-L-valine methyl ester hydrochloride, N-(2'-Cyanobiphenyl-4-ylmethyl)-L-valine Methyl Ester Hydrochloride, (S)-Methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate HCl, methyl (2S)-2-({[4-(2-cyanophenyl)phenyl]methyl}amino)-3-methylbutanoate hydrochloride, N-[(2 -cyano[1,1 biphenyl]-4-yl)methyl]-methyl ester L-valine monohydrochloride, AZQXUWUZQLZNIM-FYZYNONXSA-N, AK-72960, PubChem21061, SCHEMBL3526296, DTXSID90587774, BCP12021, KS-000012KB, CC0199, MFCD08460094, AKOS015896156, ACM482577593, BR-72960, AX8136890, ST2402863, FT-0659857, W6477, S-1763, I06-1666, N-(2'-Cyanobiphenyl-4-ylmethyl)-L-valineMethylEsterHydrochloride, methyl ((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-L-valinate hydrochloride, N-(2\'-Cyanobiphenyl-4-ylmethyl)-L-valine Methyl Ester Hydrochloride, N-[(2'-cyanobiphenyl-4-yl) methyl]-(L)-valine methyl ester hydrochloride, N-[(2'-cyanobiphenyl-4-yl)methyl]-(L)-valine methyl ester hydrochloride, N-[(2'-cyanobiphenyl-4-yl)methyl]-L-valine methyl ester hydrochloride, (S)-METHYL 2-(((2-CYANO-[1,1-BIPHENYL]-4-YL)METHYL)AMINO)-3-METHYLBUTANOATE HCL, Methyl N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-L-valinate--hydrogen chloride (1/1), (S)-Methyl 2-(((2;-cyano-[1,1;-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate hydrochloride, (S)-Methyl 2-(((2`-cyano-[1,1`-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate hydrochloride, L-VALINE, N-[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]-, METHYL ESTER, MONOHYDROCHLORIDE, C20H23ClN2O2, CS-O-32349, C2475, L-VALINE,N-[ METHYL]-,METHYLESTER,MONOHYDROCHLORIDE, L-Valine,N-[C2-Cyano(1,1-biphenyl]4-yl]methyl]-methyl Ester Hydrochloride, N-[(2'-CYANO-(1,1'-BIPHENYL)-4-YL)METHYL]VALINE METHYL ESTER, 2-[(2'-Cyano-biphenyl-4-ylmethyl)-amino]-3-methyl-butyric acid methyl ester, L-Valine,N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-, methyl ester monohydrochloride, methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate;hydrochloride, N-(2'-Cyanobiphenyl-4-ylmethyl) L-valine methyl ester monohydrochloride, 95% 25g, N-[(2 inverted exclamation mark -cyanobiphenyl-4-yl)methyl]-l-Valine methyl ester hydrochloride (CMVEH),

Complexity	446
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	358.145g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	358.866g/mol
Monoisotopic Mass	358.145g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	62.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number