tert-butyl (2R,3aR,7aR)-2-[[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate

Systemtic Name: tert-butyl (2R,3aR,7aR)-2-[[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate Openeye Name: tert-butyl (2R,3aR,7aR)-2-[[(1S,2R)-1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-2-hydroxy-propyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate CAS Name: (2R,3aR,7aR)-2-[[[(2S,3R)-4-[[2-[(tert-butylamino)-oxomethyl]phenyl]thio]-3-hydroxy-1-phenylbutan-2-yl]amino]-oxomethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3aR,7aR)-2-[[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate Traditional Name: (2R,3aR,7aR)-2-[[(1S,2R)-1-benzyl-3-[[2-(tert-butylcarbamoyl)phenyl]thio]-2-hydroxy-propyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylic acid tert-butyl ester Formula: C35H49N3O5S MolecularWeight: 623.84566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1SCC(C(CC2=CC=CC=C2)NC(=O)C3CC4CCCCC4N3C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1SC[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H]3C[C@H]4CCCC[C@H]4N3C(=O)OC(C)(C)C)O

InChI

InChI=1S/C35H49N3O5S/c1-34(2,3)37-31(40)25-17-11-13-19-30(25)44-22-29(39)26(20-23-14-8-7-9-15-23)36-32(41)28-21-24-16-10-12-18-27(24)38(28)33(42)43-35(4,5)6/h7-9,11,13-15,17,19,24,26-29,39H,10,12,16,18,20-22H2,1-6H3,(H,36,41)(H,37,40)/t24-,26+,27-,28-,29+/m1/s1