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

Systemtic Name: 3-[[(4R,5S,6S,7R)-5,6-bis(2-methoxyethoxymethoxy)-2-oxidanylidene-4,7-bis(phenylmethyl)-3-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-(1,3-thiazol-2-yl)benzamide Openeye Name: 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-bis(2-methoxyethoxymethoxy)-2-oxo-3-[[3-(thiazol-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-thiazol-2-yl-benzamide CAS Name: 3-[[(4R,5S,6S,7R)-5,6-bis(2-methoxyethoxymethoxy)-2-oxo-3-[[3-[oxo-(2-thiazolylamino)methyl]phenyl]methyl]-4,7-bis(phenylmethyl)-1,3-diazepan-1-yl]methyl]-N-(2-thiazolyl)benzamide IUPAC Name: 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-bis(2-methoxyethoxymethoxy)-2-oxo-3-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-(1,3-thiazol-2-yl)benzamide Traditional Name: 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-2-keto-5,6-bis(2-methoxyethoxymethoxy)-3-[3-(thiazol-2-ylcarbamoyl)benzyl]-1,3-diazepan-1-yl]methyl]-N-thiazol-2-yl-benzamide Formula: C49H54N6O9S2 MolecularWeight: 935.11786

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1C(N(C(=O)N(C(C1OCOCCOC)CC2=CC=CC=C2)CC3=CC=CC(=C3)C(=O)NC4=NC=CS4)CC5=CC=CC(=C5)C(=O)NC6=NC=CS6)CC7=CC=CC=C7

Isomeric SMILES

COCCOCO[C@H]1[C@H](N(C(=O)N([C@@H]([C@@H]1OCOCCOC)CC2=CC=CC=C2)CC3=CC=CC(=C3)C(=O)NC4=NC=CS4)CC5=CC=CC(=C5)C(=O)NC6=NC=CS6)CC7=CC=CC=C7

InChI

InChI=1S/C49H54N6O9S2/c1-59-21-23-61-33-63-43-41(29-35-11-5-3-6-12-35)54(31-37-15-9-17-39(27-37)45(56)52-47-50-19-25-65-47)49(58)55(32-38-16-10-18-40(28-38)46(57)53-48-51-20-26-66-48)42(30-36-13-7-4-8-14-36)44(43)64-34-62-24-22-60-2/h3-20,25-28,41-44H,21-24,29-34H2,1-2H3,(H,50,52,56)(H,51,53,57)/t41-,42-,43+,44+/m1/s1