[(3S,4R)-1,1-bis(oxidanylidene)-3-[(4-phenylmethoxyphenyl)carbonylamino]thiepan-4-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonyl-phenyl)carbonyl-benzoate

Systemtic Name: [(3S,4R)-1,1-bis(oxidanylidene)-3-[(4-phenylmethoxyphenyl)carbonylamino]thiepan-4-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonyl-phenyl)carbonyl-benzoate Openeye Name: [(3S,4R)-3-[(4-benzyloxybenzoyl)amino]-1,1-dioxo-thiepan-4-yl] 3,5-dibenzyloxy-4-(2-benzyloxy-6-benzyloxycarbonyl-benzoyl)benzoate CAS Name: 4-[oxo-(2-phenylmethoxy-6-phenylmethoxycarbonylphenyl)methyl]-3,5-bis(phenylmethoxy)benzoic acid [(3S,4R)-1,1-dioxo-3-[[oxo-(4-phenylmethoxyphenyl)methyl]amino]-4-thiepanyl] ester IUPAC Name: [(3S,4R)-1,1-dioxo-3-[(4-phenylmethoxybenzoyl)amino]thiepan-4-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate Traditional Name: 3,5-dibenzoxy-4-(2-benzoxy-6-carbobenzoxy-benzoyl)benzoic acid [(3S,4R)-3-[(4-benzoxybenzoyl)amino]-1,1-diketo-thiepan-4-yl] ester Formula: C63H55NO12S MolecularWeight: 1050.1753

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CS(=O)(=O)C1)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)OCC5=CC=CC=C5)C(=O)C6=C(C=CC=C6OCC7=CC=CC=C7)C(=O)OCC8=CC=CC=C8)OCC9=CC=CC=C9

Isomeric SMILES

C1C[C@H]([C@@H](CS(=O)(=O)C1)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)OCC5=CC=CC=C5)C(=O)C6=C(C=CC=C6OCC7=CC=CC=C7)C(=O)OCC8=CC=CC=C8)OCC9=CC=CC=C9

InChI

InChI=1S/C63H55NO12S/c65-60(58-52(63(68)75-42-48-26-14-5-15-27-48)28-16-29-55(58)72-39-45-20-8-2-9-21-45)59-56(73-40-46-22-10-3-11-23-46)36-50(37-57(59)74-41-47-24-12-4-13-25-47)62(67)76-54-30-17-35-77(69,70)43-53(54)64-61(66)49-31-33-51(34-32-49)71-38-44-18-6-1-7-19-44/h1-16,18-29,31-34,36-37,53-54H,17,30,35,38-43H2,(H,64,66)/t53-,54-/m1/s1