3-[[(3aS,4R,8R,8aS)-5-[[3-(cyanomethylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxidanylidene-4,8-bis(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-(cyanomethyl)benzamide

Systemtic Name: 3-[[(3aS,4R,8R,8aS)-5-[[3-(cyanomethylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxidanylidene-4,8-bis(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-(cyanomethyl)benzamide Openeye Name: 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(cyanomethylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-(cyanomethyl)benzamide CAS Name: 3-[[(3aS,4R,8R,8aS)-5-[[3-[(cyanomethylamino)-oxomethyl]phenyl]methyl]-2,2-dimethyl-6-oxo-4,8-bis(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-(cyanomethyl)benzamide IUPAC Name: 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[[3-(cyanomethylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-(cyanomethyl)benzamide Traditional Name: 3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-5-[3-(cyanomethylcarbamoyl)benzyl]-6-keto-2,2-dimethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-7-yl]methyl]-N-(cyanomethyl)benzamide Formula: C42H42N6O5 MolecularWeight: 710.82008

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(N(C(=O)N(C(C2O1)CC3=CC=CC=C3)CC4=CC=CC(=C4)C(=O)NCC#N)CC5=CC=CC(=C5)C(=O)NCC#N)CC6=CC=CC=C6)C

Isomeric SMILES

CC1(O[C@H]2[C@H](N(C(=O)N([C@@H]([C@@H]2O1)CC3=CC=CC=C3)CC4=CC=CC(=C4)C(=O)NCC#N)CC5=CC=CC(=C5)C(=O)NCC#N)CC6=CC=CC=C6)C

InChI

InChI=1S/C42H42N6O5/c1-42(2)52-37-35(25-29-11-5-3-6-12-29)47(27-31-15-9-17-33(23-31)39(49)45-21-19-43)41(51)48(36(38(37)53-42)26-30-13-7-4-8-14-30)28-32-16-10-18-34(24-32)40(50)46-22-20-44/h3-18,23-24,35-38H,21-22,25-28H2,1-2H3,(H,45,49)(H,46,50)/t35-,36-,37+,38+/m1/s1