[4-[(2-benzamido-3-phenylsulfanyl-propanoyl)oxymethyl]-2-phenyl-1,3-oxazol-5-yl]methyl 2-benzamido-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [4-[(2-benzamido-3-phenylsulfanyl-propanoyl)oxymethyl]-2-phenyl-1,3-oxazol-5-yl]methyl 2-benzamido-3-(phenylmethylsulfanyl)propanoate Openeye Name: [4-[(2-benzamido-3-phenylsulfanyl-propanoyl)oxymethyl]-2-phenyl-oxazol-5-yl]methyl 2-benzamido-3-benzylsulfanyl-propanoate CAS Name: 2-benzamido-3-(phenylmethylthio)propanoic acid [4-[[2-benzamido-1-oxo-3-(phenylthio)propoxy]methyl]-2-phenyl-5-oxazolyl]methyl ester IUPAC Name: [4-[(2-benzamido-3-phenylsulfanylpropanoyl)oxymethyl]-2-phenyl-1,3-oxazol-5-yl]methyl 2-benzamido-3-benzylsulfanylpropanoate Traditional Name: 2-benzamido-3-(benzylthio)propionic acid [4-[[2-benzamido-3-(phenylthio)propanoyl]oxymethyl]-2-phenyl-oxazol-5-yl]methyl ester Formula: C44H39N3O7S2 MolecularWeight: 785.92636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)OCC2=C(N=C(O2)C3=CC=CC=C3)COC(=O)C(CSC4=CC=CC=C4)NC(=O)C5=CC=CC=C5)NC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)OCC2=C(N=C(O2)C3=CC=CC=C3)COC(=O)C(CSC4=CC=CC=C4)NC(=O)C5=CC=CC=C5)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C44H39N3O7S2/c48-40(32-18-8-2-9-19-32)45-37(29-55-28-31-16-6-1-7-17-31)43(50)53-27-39-36(47-42(54-39)34-22-12-4-13-23-34)26-52-44(51)38(30-56-35-24-14-5-15-25-35)46-41(49)33-20-10-3-11-21-33/h1-25,37-38H,26-30H2,(H,45,48)(H,46,49)