tert-butyl (2S)-2-[[4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3-phenyl-phenyl]carbamoyl]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3-phenyl-phenyl]carbamoyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-4-hydroxy-2-[[4-[[(1S)-1-methoxycarbonyl-3-methylsulfanyl-propyl]carbamoyl]-3-phenyl-phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-4-hydroxy-2-[[4-[[[(2S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-3-phenylanilino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-hydroxy-2-[[4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]-3-phenylphenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[4-[[(1S)-1-carbomethoxy-3-(methylthio)propyl]carbamoyl]-3-phenyl-phenyl]carbamoyl]-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C29H37N3O7S MolecularWeight: 571.68498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)NC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C[C@H]1C(=O)NC2=CC(=C(C=C2)C(=O)N[C@@H](CCSC)C(=O)OC)C3=CC=CC=C3)O

InChI

InChI=1S/C29H37N3O7S/c1-29(2,3)39-28(37)32-17-20(33)16-24(32)26(35)30-19-11-12-21(22(15-19)18-9-7-6-8-10-18)25(34)31-23(13-14-40-5)27(36)38-4/h6-12,15,20,23-24,33H,13-14,16-17H2,1-5H3,(H,30,35)(H,31,34)/t20?,23-,24-/m0/s1