CAS 3918-92-1 | L-Valyl-L-phenylalanine | CAS Number 3918-92-1

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3918-92-1 | L-Valyl-L-phenylalanine

CAS No: 3918-92-1 Catalog No: AG00366C MDL No:

Product Description

Catalog Number:

AG00366C

Chemical Name:

L-Valyl-L-phenylalanine

CAS Number:

3918-92-1

Molecular Formula:

C14H20N2O3

Molecular Weight:

264.3202

IUPAC Name:

(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoic acid

InChI:

InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1

InChI Key:

GJNDXQBALKCYSZ-RYUDHWBXSA-N

SMILES:

N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C(C)C

Properties

Complexity:

312

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.325g/mol

Monoisotopic Mass:

264.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.2

Literature

Title	Journal
Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping.	Bioorganic & medicinal chemistry 20110801
Three-dimensional quantitative structure-activity relationship analyses of beta-lactam antibiotics and tripeptides as substrates of the mammalian H+/peptide cotransporter PEPT1.	Journal of medicinal chemistry 20050630
1,2-Benzothiazine 1,1-dioxide alpha-ketoamide analogues as potent calpain I inhibitors.	Bioorganic & medicinal chemistry letters 20040223
Inhibitors of tripeptidyl peptidase II. 2. Generation of the first novel lead inhibitor of cholecystokinin-8-inactivating peptidase: a strategy for the design of peptidase inhibitors.	Journal of medicinal chemistry 20000224