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14486-15-8

14486-15-8 | L-Methionine, L-methionyl-L-methionyl-

CAS No: 14486-15-8 Catalog No: AG001K8R MDL No:MFCD00038231

Product Description

Catalog Number:
AG001K8R
Chemical Name:
L-Methionine, L-methionyl-L-methionyl-
CAS Number:
14486-15-8
Molecular Formula:
C15H29N3O4S3
Molecular Weight:
411.6035
MDL Number:
MFCD00038231
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C15H29N3O4S3/c1-23-7-4-10(16)13(19)17-11(5-8-24-2)14(20)18-12(15(21)22)6-9-25-3/h10-12H,4-9,16H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)/t10-,11-,12-/m0/s1
InChI Key:
VWWGEKCAPBMIFE-SRVKXCTJSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)O)CCSC)NC(=O)[C@H](CCSC)N

Properties

Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
411.132g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
411.594g/mol
Monoisotopic Mass:
411.132g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3  

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

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