2-[[3-[[(3aS,4R,8R,8aS)-7-[[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-5-yl]methyl]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-[[(3aS,4R,8R,8aS)-7-[[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-5-yl]methyl]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-7-[[3-(cyanomethylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-5-yl]methyl]benzoyl]amino]acetic acid CAS Name: 2-[[[3-[[(3aS,4R,8R,8aS)-7-[[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-5-yl]methyl]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-7-[[3-(cyanomethylcarbamoyl)phenyl]methyl]-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-5-yl]methyl]benzoyl]amino]acetic acid Traditional Name: 2-[[3-[[(3aS,4R,8R,8aS)-4,8-dibenzyl-7-[3-(cyanomethylcarbamoyl)benzyl]-6-keto-2,2-dimethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-5-yl]methyl]benzoyl]amino]acetic acid Formula: C42H43N5O7 MolecularWeight: 729.82012

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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(=O)O)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(=O)O)CC5=CC=CC(=C5)C(=O)NCC#N)CC6=CC=CC=C6)C

InChI

InChI=1S/C42H43N5O7/c1-42(2)53-37-34(23-28-11-5-3-6-12-28)46(26-30-15-9-17-32(21-30)39(50)44-20-19-43)41(52)47(35(38(37)54-42)24-29-13-7-4-8-14-29)27-31-16-10-18-33(22-31)40(51)45-25-36(48)49/h3-18,21-22,34-35,37-38H,20,23-27H2,1-2H3,(H,44,50)(H,45,51)(H,48,49)/t34-,35-,37+,38+/m1/s1