4-methylbenzenesulfonic acid; (phenylmethyl) (2R)-2-azanyl-3-cyclohexyl-propanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) (2R)-2-azanyl-3-cyclohexyl-propanoate Openeye Name: benzyl (2R)-2-amino-3-cyclohexyl-propanoate; 4-methylbenzenesulfonic acid CAS Name: (2R)-2-amino-3-cyclohexylpropanoic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl (2R)-2-amino-3-cyclohexylpropanoate; 4-methylbenzenesulfonic acid Traditional Name: (2R)-2-amino-3-cyclohexyl-propionic acid benzyl ester; tosylic acid Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)CC(C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)C[C@H](C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C16H23NO2.C7H8O3S/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12,17H2;2-5H,1H3,(H,8,9,10)/t15-;/m1./s1