tert-butyl N-[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-4-ylmethoxy)piperidin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-4-ylmethoxy)piperidin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-1-benzyl-3-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(4-pyridylmethoxy)-1-piperidyl]-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-4-[(2S,4R)-2-[(tert-butylamino)-oxomethyl]-4-(pyridin-4-ylmethoxy)-1-piperidinyl]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-4-ylmethoxy)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-3-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(4-pyridylmethoxy)piperidino]-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C31H46N4O5 MolecularWeight: 554.72074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC(CCN1CC(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)OCC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)OCC3=CC=NC=C3

InChI

InChI=1S/C31H46N4O5/c1-30(2,3)34-28(37)26-19-24(39-21-23-12-15-32-16-13-23)14-17-35(26)20-27(36)25(18-22-10-8-7-9-11-22)33-29(38)40-31(4,5)6/h7-13,15-16,24-27,36H,14,17-21H2,1-6H3,(H,33,38)(H,34,37)/t24-,25+,26+,27-/m1/s1