cyclohexylmethyl 2-azanyl-3-(4-oxidanylcyclohexyl)propanoate; 4-methylcyclohexane-1-sulfonic acid

Systemtic Name: cyclohexylmethyl 2-azanyl-3-(4-oxidanylcyclohexyl)propanoate; 4-methylcyclohexane-1-sulfonic acid Openeye Name: cyclohexylmethyl 2-amino-3-(4-hydroxycyclohexyl)propanoate; 4-methylcyclohexanesulfonic acid CAS Name: 2-amino-3-(4-hydroxycyclohexyl)propanoic acid cyclohexylmethyl ester; 4-methyl-1-cyclohexanesulfonic acid IUPAC Name: cyclohexylmethyl 2-amino-3-(4-hydroxycyclohexyl)propanoate; 4-methylcyclohexane-1-sulfonic acid Traditional Name: 2-amino-3-(4-hydroxycyclohexyl)propionic acid cyclohexylmethyl ester; 4-methylcyclohexanesulfonic acid Formula: C23H43NO6S MolecularWeight: 461.65562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)S(=O)(=O)O.C1CCC(CC1)COC(=O)C(CC2CCC(CC2)O)N

Isomeric SMILES

CC1CCC(CC1)S(=O)(=O)O.C1CCC(CC1)COC(=O)C(CC2CCC(CC2)O)N

InChI

InChI=1S/C16H29NO3.C7H14O3S/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13;1-6-2-4-7(5-3-6)11(8,9)10/h12-15,18H,1-11,17H2;6-7H,2-5H2,1H3,(H,8,9,10)