methyl 4-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]benzoate Openeye Name: methyl 4-[[2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]benzoate Traditional Name: 4-[[2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]benzoic acid methyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O5S/c1-32-25(30)21-12-14-22(15-13-21)27-24(29)23(18-34-17-20-10-6-3-7-11-20)28-26(31)33-16-19-8-4-2-5-9-19/h2-15,23H,16-18H2,1H3,(H,27,29)(H,28,31)