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

Systemtic Name: N-butyl-3-[[(4R,5S,6S,7R)-3-[[3-(butylcarbamoyl)phenyl]methyl]-5,6-bis(oxidanyl)-2-oxidanylidene-4,7-bis(phenylmethyl)-1,3-diazepan-1-yl]methyl]benzamide Openeye Name: N-butyl-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(butylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide CAS Name: N-butyl-3-[[(4R,5S,6S,7R)-3-[[3-[butylamino(oxo)methyl]phenyl]methyl]-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1,3-diazepan-1-yl]methyl]benzamide IUPAC Name: N-butyl-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(butylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide Traditional Name: N-butyl-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[3-(butylcarbamoyl)benzyl]-5,6-dihydroxy-2-keto-1,3-diazepan-1-yl]methyl]benzamide Formula: C43H52N4O5 MolecularWeight: 704.89678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H52N4O5/c1-3-5-23-44-41(50)35-21-13-19-33(25-35)29-46-37(27-31-15-9-7-10-16-31)39(48)40(49)38(28-32-17-11-8-12-18-32)47(43(46)52)30-34-20-14-22-36(26-34)42(51)45-24-6-4-2/h7-22,25-26,37-40,48-49H,3-6,23-24,27-30H2,1-2H3,(H,44,50)(H,45,51)/t37-,38-,39+,40+/m1/s1