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798541-18-1 | L-Alanine, L-threonyl-L-alanyl-L-methionyl-
CAS No: 798541-18-1 Catalog No: AG004ZO3 MDL No:
Product Description
Catalog Number:
AG004ZO3
Chemical Name:
L-Alanine, L-threonyl-L-alanyl-L-methionyl-
CAS Number:
798541-18-1
Molecular Formula:
C15H28N4O6S
Molecular Weight:
392.4710
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoic acid
InChI:
InChI=1S/C15H28N4O6S/c1-7(17-14(23)11(16)9(3)20)12(21)19-10(5-6-26-4)13(22)18-8(2)15(24)25/h7-11,20H,5-6,16H2,1-4H3,(H,17,23)(H,18,22)(H,19,21)(H,24,25)/t7-,8-,9+,10-,11-/m0/s1
InChI Key:
AWGZLOWKGWFBBO-HHKYUTTNSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)C
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
392.173g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
392.471g/mol
Monoisotopic Mass:
392.173g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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