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(3S)-3-(aminomethyl)-5-methyl-hexanoic acid; benzenesulfonic acid

(3S)-3-(aminomethyl)-5-methyl-hexanoic acid; benzenesulfonic acid

Systemtic Name:(3S)-3-(aminomethyl)-5-methyl-hexanoic acid; benzenesulfonic acid
Openeye Name:(3S)-3-(aminomethyl)-5-methyl-hexanoic acid; benzenesulfonic acid
CAS Name:(3S)-3-(aminomethyl)-5-methylhexanoic acid; benzenesulfonic acid
IUPAC Name:(3S)-3-(aminomethyl)-5-methylhexanoic acid; benzenesulfonic acid
Traditional Name:(3S)-3-(aminomethyl)-5-methyl-hexanoic acid; besylic acid
Formula: C14H23NO5S
MolecularWeight: 317.40112
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)CN.C1=CC=C(C=C1)S(=O)(=O)O


Isomeric SMILES

CC(C)C[C@@H](CC(=O)O)CN.C1=CC=C(C=C1)S(=O)(=O)O


InChI

InChI=1S/C8H17NO2.C6H6O3S/c1-6(2)3-7(5-9)4-8(10)11;7-10(8,9)6-4-2-1-3-5-6/h6-7H,3-5,9H2,1-2H3,(H,10,11);1-5H,(H,7,8,9)/t7-;/m0./s1


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