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Home > Other Building Blocks > 72273-98-4
72273-98-4 | L-Threonine, L-leucyl-L-prolyl-
CAS No: 72273-98-4 Catalog No: AG005IG2 MDL No:
Product Description
Catalog Number:
AG005IG2
Chemical Name:
L-Threonine, L-leucyl-L-prolyl-
CAS Number:
72273-98-4
Molecular Formula:
C15H27N3O5
Molecular Weight:
329.3920
IUPAC Name:
(2S,3R)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C15H27N3O5/c1-8(2)7-10(16)14(21)18-6-4-5-11(18)13(20)17-12(9(3)19)15(22)23/h8-12,19H,4-7,16H2,1-3H3,(H,17,20)(H,22,23)/t9-,10+,11+,12+/m1/s1
InChI Key:
PWPBLZXWFXJFHE-RHYQMDGZSA-N
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@H](O)C)N)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
329.195g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
329.397g/mol
Monoisotopic Mass:
329.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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