tert-butyl 2-[[2-[(4-methylphenyl)sulfonyloxymethyl]-3-phenyl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-[(4-methylphenyl)sulfonyloxymethyl]-3-phenyl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-benzyl-3-(p-tolylsulfonyloxy)propanoyl]amino]hexanoate CAS Name: 2-[[2-[(4-methylphenyl)sulfonyloxymethyl]-1-oxo-3-phenylpropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-benzyl-3-(4-methylphenyl)sulfonyloxypropanoyl]amino]hexanoate Traditional Name: 2-[(2-benzyl-3-tosyloxy-propanoyl)amino]hexanoic acid tert-butyl ester Formula: C27H37NO6S MolecularWeight: 503.65078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C27H37NO6S/c1-6-7-13-24(26(30)34-27(3,4)5)28-25(29)22(18-21-11-9-8-10-12-21)19-33-35(31,32)23-16-14-20(2)15-17-23/h8-12,14-17,22,24H,6-7,13,18-19H2,1-5H3,(H,28,29)