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88424-57-1 | L-Methionine, N-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]-
CAS No: 88424-57-1 Catalog No: AG004HTI MDL No:
Product Description
Catalog Number:
AG004HTI
Chemical Name:
L-Methionine, N-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]-
CAS Number:
88424-57-1
Molecular Formula:
C15H21NO3S2
Molecular Weight:
327.4621
IUPAC Name:
(2S)-2-[(2-benzyl-3-sulfanylpropanoyl)amino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C15H21NO3S2/c1-21-8-7-13(15(18)19)16-14(17)12(10-20)9-11-5-3-2-4-6-11/h2-6,12-13,20H,7-10H2,1H3,(H,16,17)(H,18,19)/t12?,13-/m0/s1
InChI Key:
HNZBQOSYCFLCAE-ABLWVSNPSA-N
SMILES:
CSCC[C@@H](C(=O)O)NC(=O)C(Cc1ccccc1)CS
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
327.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
327.457g/mol
Monoisotopic Mass:
327.096g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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