(phenylmethyl) N-[1-[2-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanyl-piperidin-1-yl]-2-oxidanyl-4-phenyl-butyl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[2-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanyl-piperidin-1-yl]-2-oxidanyl-4-phenyl-butyl]carbamate Openeye Name: benzyl N-[1-[2-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanyl-1-piperidyl]-2-hydroxy-4-phenyl-butyl]carbamate CAS Name: N-[1-[2-[(tert-butylamino)-oxomethyl]-2-(2-pyrimidinylthio)-1-piperidinyl]-2-hydroxy-4-phenylbutyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[2-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylpiperidin-1-yl]-2-hydroxy-4-phenylbutyl]carbamate Traditional Name: N-[1-[2-(tert-butylcarbamoyl)-2-(2-pyrimidylthio)piperidino]-2-hydroxy-4-phenyl-butyl]carbamic acid benzyl ester Formula: C32H41N5O4S MolecularWeight: 591.76404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1(CCCCN1C(C(CCC2=CC=CC=C2)O)NC(=O)OCC3=CC=CC=C3)SC4=NC=CC=N4

Isomeric SMILES

CC(C)(C)NC(=O)C1(CCCCN1C(C(CCC2=CC=CC=C2)O)NC(=O)OCC3=CC=CC=C3)SC4=NC=CC=N4

InChI

InChI=1S/C32H41N5O4S/c1-31(2,3)36-28(39)32(42-29-33-20-12-21-34-29)19-10-11-22-37(32)27(26(38)18-17-24-13-6-4-7-14-24)35-30(40)41-23-25-15-8-5-9-16-25/h4-9,12-16,20-21,26-27,38H,10-11,17-19,22-23H2,1-3H3,(H,35,40)(H,36,39)