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22951-94-6 | L-Isoleucine, L-phenylalanyl-
CAS No: 22951-94-6 Catalog No: AG002LNA MDL No:
Product Description
Catalog Number:
AG002LNA
Chemical Name:
L-Isoleucine, L-phenylalanyl-
CAS Number:
22951-94-6
Molecular Formula:
C15H22N2O3
Molecular Weight:
278.3468
IUPAC Name:
(2S,3S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanoic acid
InChI:
InChI=1S/C15H22N2O3/c1-3-10(2)13(15(19)20)17-14(18)12(16)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H,17,18)(H,19,20)/t10-,12-,13-/m0/s1
InChI Key:
JWBLQDDHSDGEGR-DRZSPHRISA-N
SMILES:
CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)N)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
278.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.352g/mol
Monoisotopic Mass:
278.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
Literature
| Title | Journal |
|---|---|
| Baupain, a plant cysteine proteinase that hinders thrombin-induced human platelet aggregation. | Protein and peptide letters 20120401 |
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