(phenylmethyl) 3,4-bis(oxidanyl)-2-[(2R)-3-oxidanylidene-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]sulfanyl-5-phenylmethoxy-benzoate

Systemtic Name: (phenylmethyl) 3,4-bis(oxidanyl)-2-[(2R)-3-oxidanylidene-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]sulfanyl-5-phenylmethoxy-benzoate Openeye Name: benzyl 5-benzyloxy-2-[(2R)-3-benzyloxy-2-(benzyloxycarbonylamino)-3-oxo-propyl]sulfanyl-3,4-dihydroxy-benzoate CAS Name: 3,4-dihydroxy-2-[[(2R)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]thio]-5-phenylmethoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3,4-dihydroxy-2-[(2R)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]sulfanyl-5-phenylmethoxybenzoate Traditional Name: 5-benzoxy-2-[[(2R)-3-benzoxy-2-(benzyloxycarbonylamino)-3-keto-propyl]thio]-3,4-dihydroxy-benzoic acid benzyl ester Formula: C39H35NO9S MolecularWeight: 693.7615

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C(=C(C(=C2)C(=O)OCC3=CC=CC=C3)SCC(C(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C(=C(C(=C2)C(=O)OCC3=CC=CC=C3)SC[C@@H](C(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)O)O

InChI

InChI=1S/C39H35NO9S/c41-34-33(46-22-27-13-5-1-6-14-27)21-31(37(43)47-23-28-15-7-2-8-16-28)36(35(34)42)50-26-32(38(44)48-24-29-17-9-3-10-18-29)40-39(45)49-25-30-19-11-4-12-20-30/h1-21,32,41-42H,22-26H2,(H,40,45)/t32-/m0/s1