2-(1-acetamido-2-methoxy-2-methyl-pentyl)-4-[(Z)-prop-1-enyl]pyrrolidine-1-carboxylic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 2-(1-acetamido-2-methoxy-2-methyl-pentyl)-4-[(Z)-prop-1-enyl]pyrrolidine-1-carboxylic acid; 4-methylbenzenesulfonic acid Openeye Name: 2-(1-acetamido-2-methoxy-2-methyl-pentyl)-4-[(Z)-prop-1-enyl]pyrrolidine-1-carboxylic acid; 4-methylbenzenesulfonic acid CAS Name: 2-(1-acetamido-2-methoxy-2-methylpentyl)-4-[(Z)-prop-1-enyl]-1-pyrrolidinecarboxylic acid; 4-methylbenzenesulfonic acid IUPAC Name: 2-(1-acetamido-2-methoxy-2-methylpentyl)-4-[(Z)-prop-1-enyl]pyrrolidine-1-carboxylic acid; 4-methylbenzenesulfonic acid Traditional Name: 2-(1-acetamido-2-methoxy-2-methyl-pentyl)-4-[(Z)-prop-1-enyl]pyrrolidine-1-carboxylic acid; tosylic acid Formula: C24H38N2O7S MolecularWeight: 498.63272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(C1CC(CN1C(=O)O)C=CC)NC(=O)C)OC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCC(C)(C(C1CC(CN1C(=O)O)/C=C\C)NC(=O)C)OC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C17H30N2O4.C7H8O3S/c1-6-8-13-10-14(19(11-13)16(21)22)15(18-12(3)20)17(4,23-5)9-7-2;1-6-2-4-7(5-3-6)11(8,9)10/h6,8,13-15H,7,9-11H2,1-5H3,(H,18,20)(H,21,22);2-5H,1H3,(H,8,9,10)/b8-6-;