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823233-46-1 | L-Threonine, L-serylglycylglycyl-L-threonyl-
CAS No: 823233-46-1 Catalog No: AG004YRI MDL No:
Product Description
Catalog Number:
AG004YRI
Chemical Name:
L-Threonine, L-serylglycylglycyl-L-threonyl-
CAS Number:
823233-46-1
Molecular Formula:
C15H27N5O9
Molecular Weight:
421.4030
IUPAC Name:
(2S,3R)-2-[[(2S,3R)-2-[[2-[[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C15H27N5O9/c1-6(22)11(14(27)20-12(7(2)23)15(28)29)19-10(25)4-17-9(24)3-18-13(26)8(16)5-21/h6-8,11-12,21-23H,3-5,16H2,1-2H3,(H,17,24)(H,18,26)(H,19,25)(H,20,27)(H,28,29)/t6-,7-,8+,11+,12+/m1/s1
InChI Key:
IANMKZHTUCHOMD-AWYGBSBDSA-N
SMILES:
OC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)[C@H](O)C)N
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
421.181g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
421.407g/mol
Monoisotopic Mass:
421.181g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
240A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.1
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