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798540-79-1 | L-Aspartic acid, L-alanyl-L-seryl-L-alanyl-
CAS No: 798540-79-1 Catalog No: AG004ZOD MDL No:
Product Description
Catalog Number:
AG004ZOD
Chemical Name:
L-Aspartic acid, L-alanyl-L-seryl-L-alanyl-
CAS Number:
798540-79-1
Molecular Formula:
C13H22N4O8
Molecular Weight:
362.3358
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]butanedioic acid
InChI:
InChI=1S/C13H22N4O8/c1-5(14)10(21)17-8(4-18)12(23)15-6(2)11(22)16-7(13(24)25)3-9(19)20/h5-8,18H,3-4,14H2,1-2H3,(H,15,23)(H,16,22)(H,17,21)(H,19,20)(H,24,25)/t5-,6-,7-,8-/m0/s1
InChI Key:
OUSJOFVBHRLUQS-XAMCCFCMSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)C)NC(=O)[C@@H](N)C
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
362.144g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
362.339g/mol
Monoisotopic Mass:
362.144g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
208A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.7
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