tert-butyl (2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-6-(phenylsulfonyl)pentadecanoate

Systemtic Name: tert-butyl (2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-6-(phenylsulfonyl)pentadecanoate Openeye Name: tert-butyl (2S)-6-(benzenesulfonyl)-2-(benzyloxycarbonylamino)-5-oxo-pentadecanoate CAS Name: (2S)-6-(benzenesulfonyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentadecanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-6-(benzenesulfonyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentadecanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-besyl-5-keto-pentadecanoic acid tert-butyl ester Formula: C33H47NO7S MolecularWeight: 601.79378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(=O)CCC(C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC(C(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C33H47NO7S/c1-5-6-7-8-9-10-17-22-30(42(38,39)27-20-15-12-16-21-27)29(35)24-23-28(31(36)41-33(2,3)4)34-32(37)40-25-26-18-13-11-14-19-26/h11-16,18-21,28,30H,5-10,17,22-25H2,1-4H3,(H,34,37)/t28-,30?/m0/s1