tert-butyl (5S)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxidanylidene-9-phenylmethoxy-nonanoate

Systemtic Name: tert-butyl (5S)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxidanylidene-9-phenylmethoxy-nonanoate Openeye Name: tert-butyl (5S)-9-benzyloxy-3-oxo-5-[[(S)-p-tolylsulfinyl]amino]nonanoate CAS Name: (5S)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxo-9-phenylmethoxynonanoic acid tert-butyl ester IUPAC Name: tert-butyl (5S)-5-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-oxo-9-phenylmethoxynonanoate Traditional Name: (5S)-9-benzoxy-3-keto-5-[[(S)-p-tolylsulfinyl]amino]pelargonic acid tert-butyl ester Formula: C27H37NO5S MolecularWeight: 487.65138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)NC(CCCCOCC2=CC=CC=C2)CC(=O)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)N[C@@H](CCCCOCC2=CC=CC=C2)CC(=O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C27H37NO5S/c1-21-13-15-25(16-14-21)34(31)28-23(18-24(29)19-26(30)33-27(2,3)4)12-8-9-17-32-20-22-10-6-5-7-11-22/h5-7,10-11,13-16,23,28H,8-9,12,17-20H2,1-4H3/t23-,34-/m0/s1