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101848-25-3 | L-Threonine, L-isoleucyl-L-threonyl-
CAS No: 101848-25-3 Catalog No: AG0005PQ MDL No:
Product Description
Catalog Number:
AG0005PQ
Chemical Name:
L-Threonine, L-isoleucyl-L-threonyl-
CAS Number:
101848-25-3
Molecular Formula:
C14H27N3O6
Molecular Weight:
333.3807
IUPAC Name:
(2S,3R)-2-[[(2S,3R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C14H27N3O6/c1-5-6(2)9(15)12(20)16-10(7(3)18)13(21)17-11(8(4)19)14(22)23/h6-11,18-19H,5,15H2,1-4H3,(H,16,20)(H,17,21)(H,22,23)/t6-,7+,8+,9-,10-,11-/m0/s1
InChI Key:
NURNJECQNNCRBK-FLBSBUHZSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)[C@H](O)C)N)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
333.19g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
333.385g/mol
Monoisotopic Mass:
333.19g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2
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