[(2R,3R)-1,1-bis(oxidanylidene)-2-propan-2-yl-thiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(2-propylpyridin-4-yl)methyl]piperazin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: [(2R,3R)-1,1-bis(oxidanylidene)-2-propan-2-yl-thiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(2-propylpyridin-4-yl)methyl]piperazin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: [(2R,3R)-2-isopropyl-1,1-dioxo-thiolan-3-yl] N-[(1S,2R)-1-benzyl-3-[(2S)-2-(tert-butylcarbamoyl)-4-[(2-propyl-4-pyridyl)methyl]piperazin-1-yl]-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-4-[(2S)-2-[(tert-butylamino)-oxomethyl]-4-[(2-propyl-4-pyridinyl)methyl]-1-piperazinyl]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid [(2R,3R)-1,1-dioxo-2-propan-2-yl-3-thiolanyl] ester IUPAC Name: [(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(2-propylpyridin-4-yl)methyl]piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-3-[(2S)-2-(tert-butylcarbamoyl)-4-[(2-propyl-4-pyridyl)methyl]piperazino]-2-hydroxy-propyl]carbamic acid [(2R,3R)-2-isopropyl-1,1-diketo-thiolan-3-yl] ester Formula: C36H55N5O6S MolecularWeight: 685.9168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=CC(=C1)CN2CCN(C(C2)C(=O)NC(C)(C)C)CC(C(CC3=CC=CC=C3)NC(=O)OC4CCS(=O)(=O)C4C(C)C)O

Isomeric SMILES

CCCC1=NC=CC(=C1)CN2CCN([C@@H](C2)C(=O)NC(C)(C)C)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)O[C@@H]4CCS(=O)(=O)[C@@H]4C(C)C)O

InChI

InChI=1S/C36H55N5O6S/c1-7-11-28-20-27(14-16-37-28)22-40-17-18-41(30(23-40)34(43)39-36(4,5)6)24-31(42)29(21-26-12-9-8-10-13-26)38-35(44)47-32-15-19-48(45,46)33(32)25(2)3/h8-10,12-14,16,20,25,29-33,42H,7,11,15,17-19,21-24H2,1-6H3,(H,38,44)(H,39,43)/t29-,30-,31+,32+,33+/m0/s1