S-tert-butyl (2R,3S)-6-methyl-3-[[(1S)-1-phenylethyl]carbamoyloxy]-2-phenylmethoxy-hept-4-ynethioate

Systemtic Name: S-tert-butyl (2R,3S)-6-methyl-3-[[(1S)-1-phenylethyl]carbamoyloxy]-2-phenylmethoxy-hept-4-ynethioate Openeye Name: S-tert-butyl (2R,3S)-2-benzyloxy-6-methyl-3-[[(1S)-1-phenylethyl]carbamoyloxy]hept-4-ynethioate CAS Name: (2R,3S)-6-methyl-3-[oxo-[[(1S)-1-phenylethyl]amino]methoxy]-2-phenylmethoxy-4-heptynethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (2R,3S)-6-methyl-3-[[(1S)-1-phenylethyl]carbamoyloxy]-2-phenylmethoxyhept-4-ynethioate Traditional Name: (2R,3S)-2-benzoxy-6-methyl-3-[[(1S)-1-phenylethyl]carbamoyloxy]hept-4-ynethioic acid S-tert-butyl ester Formula: C28H35NO4S MolecularWeight: 481.6468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#CC(C(C(=O)SC(C)(C)C)OCC1=CC=CC=C1)OC(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)O[C@@H](C#CC(C)C)[C@H](C(=O)SC(C)(C)C)OCC2=CC=CC=C2

InChI

InChI=1S/C28H35NO4S/c1-20(2)17-18-24(33-27(31)29-21(3)23-15-11-8-12-16-23)25(26(30)34-28(4,5)6)32-19-22-13-9-7-10-14-22/h7-16,20-21,24-25H,19H2,1-6H3,(H,29,31)/t21-,24-,25+/m0/s1