(2R)-N1-tert-butyl-N2-(3-imidazol-1-ylpropyl)-N2-(phenylmethyl)-4-phenylsulfanyl-piperazine-1,2-dicarboxamide

Systemtic Name: (2R)-N1-tert-butyl-N2-(3-imidazol-1-ylpropyl)-N2-(phenylmethyl)-4-phenylsulfanyl-piperazine-1,2-dicarboxamide Openeye Name: (2R)-N2-benzyl-N1-tert-butyl-N2-(3-imidazol-1-ylpropyl)-4-phenylsulfanyl-piperazine-1,2-dicarboxamide CAS Name: (2R)-N1-tert-butyl-N2-[3-(1-imidazolyl)propyl]-N2-(phenylmethyl)-4-(phenylthio)piperazine-1,2-dicarboxamide IUPAC Name: (2R)-2-N-benzyl-1-N-tert-butyl-2-N-(3-imidazol-1-ylpropyl)-4-phenylsulfanylpiperazine-1,2-dicarboxamide Traditional Name: (2R)-N'-benzyl-N-tert-butyl-N'-(3-imidazol-1-ylpropyl)-4-(phenylthio)piperazine-1,2-dicarboxamide Formula: C29H38N6O2S MolecularWeight: 534.71602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCN(CC1C(=O)N(CCCN2C=CN=C2)CC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)N1CCN(C[C@@H]1C(=O)N(CCCN2C=CN=C2)CC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C29H38N6O2S/c1-29(2,3)31-28(37)35-20-19-34(38-25-13-8-5-9-14-25)22-26(35)27(36)33(21-24-11-6-4-7-12-24)17-10-16-32-18-15-30-23-32/h4-9,11-15,18,23,26H,10,16-17,19-22H2,1-3H3,(H,31,37)/t26-/m1/s1