methyl 2-[2-(phenylmethoxycarbonylamino)ethanoylamino]-3-(4-phenylsulfanylphenyl)sulfonyl-propanoate

Systemtic Name: methyl 2-[2-(phenylmethoxycarbonylamino)ethanoylamino]-3-(4-phenylsulfanylphenyl)sulfonyl-propanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(4-phenylsulfanylphenyl)sulfonyl-propanoate CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-3-[4-(phenylthio)phenyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]-3-(4-phenylsulfanylphenyl)sulfonylpropanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-[4-(phenylthio)phenyl]sulfonyl-propionic acid methyl ester Formula: C26H26N2O7S2 MolecularWeight: 542.62384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)NC(=O)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)NC(=O)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O7S2/c1-34-25(30)23(28-24(29)16-27-26(31)35-17-19-8-4-2-5-9-19)18-37(32,33)22-14-12-21(13-15-22)36-20-10-6-3-7-11-20/h2-15,23H,16-18H2,1H3,(H,27,31)(H,28,29)