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141017-03-0 | L-Isoleucine, L-alanyl-L-valyl-
CAS No: 141017-03-0 Catalog No: AG001FR7 MDL No:
Product Description
Catalog Number:
AG001FR7
Chemical Name:
L-Isoleucine, L-alanyl-L-valyl-
CAS Number:
141017-03-0
Molecular Formula:
C14H27N3O4
Molecular Weight:
301.3819
IUPAC Name:
2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanoic acid
InChI:
InChI=1S/C14H27N3O4/c1-6-8(4)11(14(20)21)17-13(19)10(7(2)3)16-12(18)9(5)15/h7-11H,6,15H2,1-5H3,(H,16,18)(H,17,19)(H,20,21)
InChI Key:
LYILPUNCKACNGF-UHFFFAOYSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](N)C)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.2g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
301.387g/mol
Monoisotopic Mass:
301.2g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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