S-tert-butyl (3R,4S)-4-[bis(phenylmethyl)amino]-3-oxidanyl-5-phenyl-pentanethioate

Systemtic Name: S-tert-butyl (3R,4S)-4-[bis(phenylmethyl)amino]-3-oxidanyl-5-phenyl-pentanethioate Openeye Name: S-tert-butyl (3R,4S)-4-(dibenzylamino)-3-hydroxy-5-phenyl-pentanethioate CAS Name: (3R,4S)-4-[bis(phenylmethyl)amino]-3-hydroxy-5-phenylpentanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (3R,4S)-4-(dibenzylamino)-3-hydroxy-5-phenylpentanethioate Traditional Name: (3R,4S)-4-(dibenzylamino)-3-hydroxy-5-phenyl-pentanethioic acid S-tert-butyl ester Formula: C29H35NO2S MolecularWeight: 461.6587

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC(C(CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)SC(=O)C[C@H]([C@H](CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C29H35NO2S/c1-29(2,3)33-28(32)20-27(31)26(19-23-13-7-4-8-14-23)30(21-24-15-9-5-10-16-24)22-25-17-11-6-12-18-25/h4-18,26-27,31H,19-22H2,1-3H3/t26-,27+/m0/s1