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206558-72-7 | L-Methionine, L-alanyl-L-alanyl-
CAS No: 206558-72-7 Catalog No: AG002IJ8 MDL No:
Product Description
Catalog Number:
AG002IJ8
Chemical Name:
L-Methionine, L-alanyl-L-alanyl-
CAS Number:
206558-72-7
Molecular Formula:
C11H21N3O4S
Molecular Weight:
291.3671
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C11H21N3O4S/c1-6(12)9(15)13-7(2)10(16)14-8(11(17)18)4-5-19-3/h6-8H,4-5,12H2,1-3H3,(H,13,15)(H,14,16)(H,17,18)/t6-,7-,8-/m0/s1
InChI Key:
VBDMWOKJZDCFJM-FXQIFTODSA-N
SMILES:
CSCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
291.125g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
291.366g/mol
Monoisotopic Mass:
291.125g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4
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