3-[[(4R,5S,6S,7R)-5,6-bis(oxidanyl)-2-oxidanylidene-4,7-bis(phenylmethyl)-3-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-propyl-benzamide

Systemtic Name: 3-[[(4R,5S,6S,7R)-5,6-bis(oxidanyl)-2-oxidanylidene-4,7-bis(phenylmethyl)-3-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-propyl-benzamide Openeye Name: 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-propyl-benzamide CAS Name: 3-[[(4R,5S,6S,7R)-5,6-dihydroxy-2-oxo-3-[[3-[oxo(propylamino)methyl]phenyl]methyl]-4,7-bis(phenylmethyl)-1,3-diazepan-1-yl]methyl]-N-propylbenzamide IUPAC Name: 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-propylbenzamide Traditional Name: 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-keto-3-[3-(propylcarbamoyl)benzyl]-1,3-diazepan-1-yl]methyl]-N-propyl-benzamide Formula: C41H48N4O5 MolecularWeight: 676.84362

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)CN2C(C(C(C(N(C2=O)CC3=CC=CC(=C3)C(=O)NCCC)CC4=CC=CC=C4)O)O)CC5=CC=CC=C5

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CC3=CC=CC(=C3)C(=O)NCCC)CC4=CC=CC=C4)O)O)CC5=CC=CC=C5

InChI

InChI=1S/C41H48N4O5/c1-3-21-42-39(48)33-19-11-17-31(23-33)27-44-35(25-29-13-7-5-8-14-29)37(46)38(47)36(26-30-15-9-6-10-16-30)45(41(44)50)28-32-18-12-20-34(24-32)40(49)43-22-4-2/h5-20,23-24,35-38,46-47H,3-4,21-22,25-28H2,1-2H3,(H,42,48)(H,43,49)/t35-,36-,37+,38+/m1/s1