tert-butyl (3R)-4,4-diethoxy-3-[[(1S)-1-phenylethyl]amino]butanoate; 4-methylbenzenesulfonic acid

Systemtic Name: tert-butyl (3R)-4,4-diethoxy-3-[[(1S)-1-phenylethyl]amino]butanoate; 4-methylbenzenesulfonic acid Openeye Name: tert-butyl (3R)-4,4-diethoxy-3-[[(1S)-1-phenylethyl]amino]butanoate; 4-methylbenzenesulfonic acid CAS Name: (3R)-4,4-diethoxy-3-[[(1S)-1-phenylethyl]amino]butanoic acid tert-butyl ester; 4-methylbenzenesulfonic acid IUPAC Name: tert-butyl (3R)-4,4-diethoxy-3-[[(1S)-1-phenylethyl]amino]butanoate; 4-methylbenzenesulfonic acid Traditional Name: (3R)-4,4-diethoxy-3-[[(1S)-1-phenylethyl]amino]butyric acid tert-butyl ester; tosylic acid Formula: C27H41NO7S MolecularWeight: 523.68194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(CC(=O)OC(C)(C)C)NC(C)C1=CC=CC=C1)OCC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC([C@@H](CC(=O)OC(C)(C)C)N[C@@H](C)C1=CC=CC=C1)OCC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C20H33NO4.C7H8O3S/c1-7-23-19(24-8-2)17(14-18(22)25-20(4,5)6)21-15(3)16-12-10-9-11-13-16;1-6-2-4-7(5-3-6)11(8,9)10/h9-13,15,17,19,21H,7-8,14H2,1-6H3;2-5H,1H3,(H,8,9,10)/t15-,17+;/m0./s1