Product Name
N-Acetyl-L-isoleucine
Category
Heterocyclic Organic Compound
Synonyms
N-Acetylisoleucine
IUPAC Name
(2S,3S)-2-Acetamido-3-methylpentanoic acid
Molecular Formula
C8H15NO3
Canonical SMILES
CCC(C)C(C(=O)O)NC(=O)C
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)/t5-,7-/m0/s1
InChI Key
JDTWZSUNGHMMJM-FSPLSTOPSA-N
Boiling Point
369.7±25.0 °C
Appearance
White to off-white crystalline
Storage
Sealed in dry, room temperature
Isomeric SMILES
CC[C@H](C)[C@@H](C(=O)O)NC(=O)C
Monoisotopic Mass
173.10519334
Topological Polar Surface Area
66.4 Ų
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