(4R,5S,6S,7R)-5,6-bis(oxidanyl)-1-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-[[(1R,2R)-2-phenylcyclopropyl]methyl]-4,7-bis(phenylmethyl)-1,3-diazepan-2-one

Systemtic Name: (4R,5S,6S,7R)-5,6-bis(oxidanyl)-1-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-[[(1R,2R)-2-phenylcyclopropyl]methyl]-4,7-bis(phenylmethyl)-1,3-diazepan-2-one Openeye Name: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-diazepan-2-one CAS Name: (4R,5S,6S,7R)-5,6-dihydroxy-1-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-[[(1R,2R)-2-phenylcyclopropyl]methyl]-4,7-bis(phenylmethyl)-1,3-diazepan-2-one IUPAC Name: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-diazepan-2-one Traditional Name: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-[[(1S,2S)-2-phenylcyclopropyl]methyl]-3-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-diazepan-2-one Formula: C39H42N2O3 MolecularWeight: 586.76238

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C2=CC=CC=C2)CN3C(C(C(C(N(C3=O)CC4CC4C5=CC=CC=C5)CC6=CC=CC=C6)O)O)CC7=CC=CC=C7

Isomeric SMILES

C1[C@@H]([C@H]1C2=CC=CC=C2)CN3[C@@H]([C@@H]([C@H]([C@H](N(C3=O)C[C@@H]4C[C@H]4C5=CC=CC=C5)CC6=CC=CC=C6)O)O)CC7=CC=CC=C7

InChI

InChI=1S/C39H42N2O3/c42-37-35(21-27-13-5-1-6-14-27)40(25-31-23-33(31)29-17-9-3-10-18-29)39(44)41(26-32-24-34(32)30-19-11-4-12-20-30)36(38(37)43)22-28-15-7-2-8-16-28/h1-20,31-38,42-43H,21-26H2/t31-,32+,33-,34+,35-,36-,37+,38+/m1/s1