AG0013YW

137863-17-3 | L-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, methyl ester

AG0013YW

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CAS Number	137863-17-3
Catalog Number	AG0013YW(AGN-PC-0PLSQR)
Chemical Name	L-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, methyl ester
IUPAC Name	methyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate
InChI	InChI=1S/C25H31N5O3/c1-5-6-11-22(31)30(23(17(2)3)25(32)33-4)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)24-26-28-29-27-24/h7-10,12-15,17,23H,5-6,11,16H2,1-4H3,(H,26,27,28,29)/t23-/m0/s1
InChI Key	UJTNRXYTECQKFO-QHCPKHFHSA-N
MDL Number	MFCD17215380
Molecular Formula	C25H31N5O3
Molecular Weight	449.5453
SMILES	CCCCC(=O)N(CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)[C@@H](C(C)C)C(=O)OC
UNII	7BZQ418Z0J
Synonyms	137863-17-3, (S)-Methyl 2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate, valsartan methyl ester, UNII-7BZQ418Z0J, 7BZQ418Z0J, CHEMBL326349, Valsartan impurity E, L-Valine, N-(1-oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, methyl ester, Valsartan impurity E [USP-MC], L-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, methyl ester, SCHEMBL2251, Valsartan Related Compound E, CTK8C0950, DTXSID50468616, UJTNRXYTECQKFO-QHCPKHFHSA-N, 6620AA, ANW-65515, BDBM50282365, ZINC27079783, AKOS015899737, AK102662, N-(1-Oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-L-valine methyl ester, SC-44898, AX8234201, TC-154260, ST24036315, I14-11666, methyl N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl}-L-valinate, Methyl N-pentanoyl-N-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-L-valinate, N-[2 inverted exclamation mark -(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Va, N-valeryl-N-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]-(L)-valine methyl ester, (2S)-2-[Pentanoyl[[2'-(1H-tetrazole-5-yl)biphenyl-4-yl]methyl]amino]-3-methylbutyric acid methyl ester, (S)-3-Methyl-2-{pentanoyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid methyl ester, (S)-Methyl 2-(N-((2\'-(1H-tetrazol-5-yl)-[1,1\'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate, methyl (2S)-3-methyl-2-[N-({4-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoate, methyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate, C25H31N5O3, CS-O-10333, CID11561462, N-[2'-(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Valeryl-(L)-Valine methyl ester, N-[2'-(1H-Tetrazol-5-yl)biphenyl-4-yl methyl]-N-valeryl-(L)-valine methyl ester 1g, Methyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate,

Complexity	623
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	449.243g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	449.555g/mol
Monoisotopic Mass	449.243g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

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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