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19764-31-9 | D-Isoleucine, N-acetyl-
CAS No: 19764-31-9 Catalog No: AG002AY4 MDL No:
Product Description
Catalog Number:
AG002AY4
Chemical Name:
D-Isoleucine, N-acetyl-
CAS Number:
19764-31-9
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
IUPAC Name:
2-acetamido-3-methylpentanoic acid
InChI:
InChI=1S/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)
InChI Key:
JDTWZSUNGHMMJM-UHFFFAOYSA-N
SMILES:
CC[C@H]([C@H](C(=O)O)NC(=O)C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Structures and properties of a diastereoisomeric molecular compound of (2S,3S)- and (2R,3S)-N-acetyl-2-amino-3-methylpentanoic acids. | Bioscience, biotechnology, and biochemistry 20091001 |
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