(phenylmethyl) 3-[[3-[[3-[4-(C-methylsulfanylcarbonimidoyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]phenyl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[[3-[[3-[4-(C-methylsulfanylcarbonimidoyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]phenyl]carbonylamino]propanoate Openeye Name: benzyl 3-[[3-[[2-(benzyloxycarbonylamino)-3-[4-(methylsulfanylcarbonimidoyl)phenyl]propanoyl]amino]benzoyl]amino]propanoate CAS Name: 3-[[[3-[[3-[4-[imino-(methylthio)methyl]phenyl]-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]phenyl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[3-[[3-[4-(C-methylsulfanylcarbonimidoyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]benzoyl]amino]propanoate Traditional Name: 3-[[3-[[2-(benzyloxycarbonylamino)-3-[4-[(methylthio)carbonimidoyl]phenyl]propanoyl]amino]benzoyl]amino]propionic acid benzyl ester Formula: C36H36N4O6S MolecularWeight: 652.75924

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=N)C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC(=C2)C(=O)NCCC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CSC(=N)C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC(=C2)C(=O)NCCC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C36H36N4O6S/c1-47-33(37)28-17-15-25(16-18-28)21-31(40-36(44)46-24-27-11-6-3-7-12-27)35(43)39-30-14-8-13-29(22-30)34(42)38-20-19-32(41)45-23-26-9-4-2-5-10-26/h2-18,22,31,37H,19-21,23-24H2,1H3,(H,38,42)(H,39,43)(H,40,44)