tert-butyl (3S)-3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-oxidanylidene-3-phenylmethoxy-propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-oxidanylidene-3-phenylmethoxy-propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-benzyloxy-3-oxo-propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[[(1S)-1-(1H-benzimidazol-2-yl)-3-oxo-3-phenylmethoxypropyl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-oxo-3-phenylmethoxypropyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-benzoxy-3-keto-propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C32H34N4O5 MolecularWeight: 554.63616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(CC(=O)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N[C@@H](CC(=O)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C32H34N4O5/c1-32(2,3)41-31(39)36-19-23-14-8-7-13-22(23)17-27(36)30(38)35-26(29-33-24-15-9-10-16-25(24)34-29)18-28(37)40-20-21-11-5-4-6-12-21/h4-16,26-27H,17-20H2,1-3H3,(H,33,34)(H,35,38)/t26-,27-/m0/s1