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

Systemtic Name: N-methoxy-3-[[(4R,5S,6S,7R)-3-[[3-(methoxycarbamoyl)phenyl]methyl]-5,6-bis(oxidanyl)-2-oxidanylidene-4,7-bis(phenylmethyl)-1,3-diazepan-1-yl]methyl]benzamide Openeye Name: 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[[3-(methoxycarbamoyl)phenyl]methyl]-2-oxo-1,3-diazepan-1-yl]methyl]-N-methoxy-benzamide CAS Name: 3-[[(4R,5S,6S,7R)-5,6-dihydroxy-3-[[3-[(methoxyamino)-oxomethyl]phenyl]methyl]-2-oxo-4,7-bis(phenylmethyl)-1,3-diazepan-1-yl]methyl]-N-methoxybenzamide IUPAC Name: 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[[3-(methoxycarbamoyl)phenyl]methyl]-2-oxo-1,3-diazepan-1-yl]methyl]-N-methoxybenzamide Traditional Name: 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-keto-3-[3-(methoxycarbamoyl)benzyl]-1,3-diazepan-1-yl]methyl]-N-methoxy-benzamide Formula: C37H40N4O7 MolecularWeight: 652.7361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H40N4O7/c1-47-38-35(44)29-17-9-15-27(19-29)23-40-31(21-25-11-5-3-6-12-25)33(42)34(43)32(22-26-13-7-4-8-14-26)41(37(40)46)24-28-16-10-18-30(20-28)36(45)39-48-2/h3-20,31-34,42-43H,21-24H2,1-2H3,(H,38,44)(H,39,45)/t31-,32-,33+,34+/m1/s1