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798541-12-5 | L-Alanine, L-seryl-L-alanyl-L-alanyl-
CAS No: 798541-12-5 Catalog No: AG005FZX MDL No:
Product Description
Catalog Number:
AG005FZX
Chemical Name:
L-Alanine, L-seryl-L-alanyl-L-alanyl-
CAS Number:
798541-12-5
Molecular Formula:
C12H22N4O6
Molecular Weight:
318.3263
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
InChI:
InChI=1S/C12H22N4O6/c1-5(10(19)16-7(3)12(21)22)14-9(18)6(2)15-11(20)8(13)4-17/h5-8,17H,4,13H2,1-3H3,(H,14,18)(H,15,20)(H,16,19)(H,21,22)/t5-,6-,7-,8-/m0/s1
InChI Key:
KIDUGJNRCWCIGB-XAMCCFCMSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C)C)N
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
318.154g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
318.33g/mol
Monoisotopic Mass:
318.154g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.8
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