tert-butyl 2-[4-[[5-[[[(2S)-2-ethanoylsulfanyl-4-methyl-pentanoyl]-methyl-amino]methyl]-2-ethoxy-4-ethyl-imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[5-[[[(2S)-2-ethanoylsulfanyl-4-methyl-pentanoyl]-methyl-amino]methyl]-2-ethoxy-4-ethyl-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[5-[[[(2S)-2-acetylsulfanyl-4-methyl-pentanoyl]-methyl-amino]methyl]-2-ethoxy-4-ethyl-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[5-[[[(2S)-2-(acetylthio)-4-methyl-1-oxopentyl]-methylamino]methyl]-2-ethoxy-4-ethyl-1-imidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[5-[[[(2S)-2-acetylsulfanyl-4-methylpentanoyl]-methylamino]methyl]-2-ethoxy-4-ethylimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[5-[[[(2S)-2-(acetylthio)-4-methyl-pentanoyl]-methyl-amino]methyl]-2-ethoxy-4-ethyl-imidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C35H47N3O5S MolecularWeight: 621.82978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=N1)OCC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)CN(C)C(=O)C(CC(C)C)SC(=O)C

Isomeric SMILES

CCC1=C(N(C(=N1)OCC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)CN(C)C(=O)[C@H](CC(C)C)SC(=O)C

InChI

InChI=1S/C35H47N3O5S/c1-10-29-30(22-37(9)32(40)31(20-23(3)4)44-24(5)39)38(34(36-29)42-11-2)21-25-16-18-26(19-17-25)27-14-12-13-15-28(27)33(41)43-35(6,7)8/h12-19,23,31H,10-11,20-22H2,1-9H3/t31-/m0/s1