AG00ANEL

149690-12-0 | (2R,4S)-Ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate HCl salt

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CAS Number	149690-12-0
Catalog Number	AG00ANEL(AGN-PC-0Q3NIV)
Chemical Name	(2R,4S)-Ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate HCl salt
IUPAC Name	ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
InChI	InChI=1S/C20H25NO2.ClH/c1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17;/h4-12,15,19H,3,13-14,21H2,1-2H3;1H/t15-,19+;/m1./s1
InChI Key	MYJTZLYRAWUSLB-WSCVZUBPSA-N
MDL Number	MFCD27955986
Molecular Formula	C20H26ClNO2
Molecular Weight	347.8789
SMILES	O=C(OCC)[C@H](C)C[C@H](N)CC1=CC=C(C2=CC=CC=C2)C=C1.[H]Cl
Synonyms	149690-12-0, (2R,4S)-4-Amino-5-(biphenyl-4-yl)-2-methylpentanoic acid ethyl ester hydrochloride, (2R,4S)-4-amino-5-biphenyl-4-yl-2-methylpentanoic acid ethyl ester hydrochloride, (2R,4S)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate hydrochloride, (2R,4S)-4-Amino-5-(biphenyl-4-yl)-2-methylpenta noic acid ethyl ester hydrochloride, SCHEMBL597844, AMBZ0397, MYJTZLYRAWUSLB-WSCVZUBPSA-N, MFCD27955986, AKOS027324882, ACN-036828, AM85595, AC-28985, AK318469, CS-13047, CS-0009332, FT-0771848, (2R,4S)-ethyl 4-amino-5-(biphenyl-4-yl)-2-methylpentanoate hydrochloride, (2R,4S)-Ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate HCl, (2R,4S)-4-amino-5-biphenyl-4-yl-2-methyl-pentanoic acid ethyl ester hydrochloride, (2r,4s)-4-amino-5-biphenyl-4-yl-2-methyl-pentanoic acid ethyl ester hydrochloride salt, (2r,4s)-ethyl 4-amino-5-(biphenyl-4-yl)-2-methylpentanoate hydrochloride salt, (2R,4S)-Ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate HCl salt, AHU-377; (2R,4S)-4-Amino-5-(biphenyl-4-yl)-2-methylpentanoic acid ethyl ester hydrochloride, (2R,4S)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-aMino-2-Methylpentanoate,

Complexity	344
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	347.165g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	347.883g/mol
Monoisotopic Mass	347.165g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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

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