cyclohexylmethyl 2-azanylpropanoate; 4-methylcyclohexane-1-sulfonic acid

Systemtic Name: cyclohexylmethyl 2-azanylpropanoate; 4-methylcyclohexane-1-sulfonic acid Openeye Name: cyclohexylmethyl 2-aminopropanoate; 4-methylcyclohexanesulfonic acid CAS Name: 2-aminopropanoic acid cyclohexylmethyl ester; 4-methyl-1-cyclohexanesulfonic acid IUPAC Name: cyclohexylmethyl 2-aminopropanoate; 4-methylcyclohexane-1-sulfonic acid Traditional Name: 2-aminopropionic acid cyclohexylmethyl ester; 4-methylcyclohexanesulfonic acid Formula: C17H33NO5S MolecularWeight: 363.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)S(=O)(=O)O.CC(C(=O)OCC1CCCCC1)N

Isomeric SMILES

CC1CCC(CC1)S(=O)(=O)O.CC(C(=O)OCC1CCCCC1)N

InChI

InChI=1S/C10H19NO2.C7H14O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h8-9H,2-7,11H2,1H3;6-7H,2-5H2,1H3,(H,8,9,10)