valsartan benzyl ester

valsartan benzyl ester

CAS: 137863-20-8

Formula: C31H35N5O3

SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NNN=N1)[C@@H](C(C)C)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl (2S)-3-methyl-2-(N-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}pentanamido)butanoate

InChI: InChI=1S/C31H35N5O3/c1-4-5-15-28(37)36(29(22(2)3)31(38)39-21-24-11-7-6-8-12-24)20-23-16-18-25(19-17-23)26-13-9-10-14-27(26)30-32-34-35-33-30/h6-14,16-19,22,29H,4-5,15,20-21H2,1-3H3,(H,32,33,34,35)/t29-/m0/s1

Composition: C (70.83%), H (6.71%), N (13.32%), O (9.13%)

Molar Mass: 525.653

Atom Count: 74

Heavy Atom Count: 39

Properties

Properties

Common Names	valsartan benzyl ester
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	525.273990007
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VXKKFWDUSKMRNO-LJAQVGFWSA-N
Lipinski's Rule of Five
Molar Refractivity	164.15
Topological Polar Surface Area	101.07
Polarizability	60.29
Ring Count	4
Rotatable Bond Count	13

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	137863-20-8		$67.32-$848.64$67.32$122.40$243.78$462.06$848.64