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137730-92-8 | L-Isoleucine, N-(N-glycyl-L-alanyl)- (9CI)
CAS No: 137730-92-8 Catalog No: AG0013RZ MDL No:
Product Description
Catalog Number:
AG0013RZ
Chemical Name:
L-Isoleucine, N-(N-glycyl-L-alanyl)- (9CI)
CAS Number:
137730-92-8
Molecular Formula:
C11H21N3O4
Molecular Weight:
259.3021
IUPAC Name:
(2S,3S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-methylpentanoic acid
InChI:
InChI=1S/C11H21N3O4/c1-4-6(2)9(11(17)18)14-10(16)7(3)13-8(15)5-12/h6-7,9H,4-5,12H2,1-3H3,(H,13,15)(H,14,16)(H,17,18)/t6-,7-,9-/m0/s1
InChI Key:
YMUFWNJHVPQNQD-ZKWXMUAHSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
259.153g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
259.306g/mol
Monoisotopic Mass:
259.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
Literature
| Title | Journal |
|---|---|
| Computational and Experimental Investigation of the Structure of Peptide Monolayers on Gold Nanoparticles. | Langmuir : the ACS journal of surfaces and colloids 20170110 |
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