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

Systemtic Name: tert-butyl 4-[[4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3-phenyl-phenyl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[[(1S)-1-methoxycarbonyl-3-methylsulfanyl-propyl]carbamoyl]-3-phenyl-phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[[(2S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-3-phenylphenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]-3-phenylphenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[(1S)-1-carbomethoxy-3-(methylthio)propyl]carbamoyl]-3-phenyl-benzyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H39N3O5S MolecularWeight: 541.70206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)C(=O)N[C@@H](CCSC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C29H39N3O5S/c1-29(2,3)37-28(35)32-16-14-31(15-17-32)20-21-11-12-23(24(19-21)22-9-7-6-8-10-22)26(33)30-25(13-18-38-5)27(34)36-4/h6-12,19,25H,13-18,20H2,1-5H3,(H,30,33)/t25-/m0/s1